3-N-(cyclopropylmethyl)-1-N-[3-[3-(cyclopropylmethylamino)butylamino]propyl]butane-1,3-diamine

C19H40N4 — CID 58965221

IUPAC3-N-(cyclopropylmethyl)-1-N-[3-[3-(cyclopropylmethylamino)butylamino]propyl]butane-1,3-diamine
SMILESCC(CCNCCCNCCC(C)NCC1CC1)NCC1CC1
InChIInChI=1S/C19H40N4/c1-16(22-14-18-4-5-18)8-12-20-10-3-11-21-13-9-17(2)23-15-19-6-7-19/h16-23H,3-15H2,1-2H3
InChIKeyGXTPMYACFJJSNT-UHFFFAOYSA-N
MW324.56 g/mol
LogP2.11
Rot. Bonds16

About 3-N-(cyclopropylmethyl)-1-N-[3-[3-(cyclopropylmethylamino)butylamino]propyl]butane-1,3-diamine

3-N-(cyclopropylmethyl)-1-N-[3-[3-(cyclopropylmethylamino)butylamino]propyl]butane-1,3-diamine (PubChem CID 58965221) has the molecular formula C19H40N4 and a molecular weight of 324.56 g/mol. Its IUPAC name is 3-N-(cyclopropylmethyl)-1-N-[3-[3-(cyclopropylmethylamino)butylamino]propyl]butane-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclopropylmethyl)-1-N-[3-[3-(cyclopropylmethylamino)butylamino]propyl]butane-1,3-diamine
PubChem CID58965221
Molecular FormulaC19H40N4
Molecular Weight324.56 g/mol
Exact Mass324.33
IUPAC Name3-N-(cyclopropylmethyl)-1-N-[3-[3-(cyclopropylmethylamino)butylamino]propyl]butane-1,3-diamine
SMILESCC(CCNCCCNCCC(C)NCC1CC1)NCC1CC1
InChIInChI=1S/C19H40N4/c1-16(22-14-18-4-5-18)8-12-20-10-3-11-21-13-9-17(2)23-15-19-6-7-19/h16-23H,3-15H2,1-2H3
InChIKeyGXTPMYACFJJSNT-UHFFFAOYSA-N
XLogP2.11
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclopropylmethyl)-1-N-[3-[3-(cyclopropylmethylamino)butylamino]propyl]butane-1,3-diamine?
The IUPAC name of 3-N-(cyclopropylmethyl)-1-N-[3-[3-(cyclopropylmethylamino)butylamino]propyl]butane-1,3-diamine (CID 58965221) is 3-N-(cyclopropylmethyl)-1-N-[3-[3-(cyclopropylmethylamino)butylamino]propyl]butane-1,3-diamine.
What is the SMILES notation for 3-N-(cyclopropylmethyl)-1-N-[3-[3-(cyclopropylmethylamino)butylamino]propyl]butane-1,3-diamine?
The canonical SMILES for 3-N-(cyclopropylmethyl)-1-N-[3-[3-(cyclopropylmethylamino)butylamino]propyl]butane-1,3-diamine is CC(CCNCCCNCCC(C)NCC1CC1)NCC1CC1.
What is the InChIKey of 3-N-(cyclopropylmethyl)-1-N-[3-[3-(cyclopropylmethylamino)butylamino]propyl]butane-1,3-diamine?
The InChIKey is GXTPMYACFJJSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4/c1-16(22-14-18-4-5-18)8-12-20-10-3-11-21-13-9-17(2)23-15-19-6-7-19/h16-23H,3-15H2,1-2H3.
What are the key properties of 3-N-(cyclopropylmethyl)-1-N-[3-[3-(cyclopropylmethylamino)butylamino]propyl]butane-1,3-diamine?
3-N-(cyclopropylmethyl)-1-N-[3-[3-(cyclopropylmethylamino)butylamino]propyl]butane-1,3-diamine has a molecular weight of 324.56 g/mol, XLogP of 2.11, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclopropylmethyl)-1-N-[3-[3-(cyclopropylmethylamino)butylamino]propyl]butane-1,3-diamine is sourced from PubChem (CID 58965221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).