N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine

C₃₈H₇₂N₆O — CID 159134090

About N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine

N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine (PubChem CID 159134090) has the molecular formula C₃₈H₇₂N₆O and a molecular weight of 629.04 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine.

Molecular Properties

• Compound Name: N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine
• PubChem CID: 159134090
• Molecular Formula: C₃₈H₇₂N₆O
• Molecular Weight: 629.04 g/mol
• Exact Mass: 628.58
• IUPAC Name: N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine
• SMILES: CC(C)NCCNC(C)C.CC(C)NCCOCCNC(C)C.CC(C)NCc1ccc(-c2ccc(CNC(C)C)cc2)cc1
• InChI: InChI=1S/C20H28N2.C10H24N2O.C8H20N2/c1-15(2)21-13-17-5-9-19(10-6-17)20-11-7-18(8-12-20)14-22-16(3)4;1-9(2)11-5-7-13-8-6-12-10(3)4;1-7(2)9-5-6-10-8(3)4/h5-12,15-16,21-22H,13-14H2,1-4H3;9-12H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3
• InChIKey: KHGJPMZVKDJQME-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 81.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	629.04
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine?

The IUPAC name of N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine (CID 159134090) is N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine.

What is the SMILES notation for N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine?

The canonical SMILES for N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine is CC(C)NCCNC(C)C.CC(C)NCCOCCNC(C)C.CC(C)NCc1ccc(-c2ccc(CNC(C)C)cc2)cc1.

What is the InChIKey of N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine?

The InChIKey is KHGJPMZVKDJQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2.C10H24N2O.C8H20N2/c1-15(2)21-13-17-5-9-19(10-6-17)20-11-7-18(8-12-20)14-22-16(3)4;1-9(2)11-5-7-13-8-6-12-10(3)4;1-7(2)9-5-6-10-8(3)4/h5-12,15-16,21-22H,13-14H2,1-4H3;9-12H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3.

What are the key properties of N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine?

N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine has a molecular weight of 629.04 g/mol, XLogP of 6.33, 20 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 159134090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159134090 — identifiers, structure, computed properties (public domain)

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