hexane-1,6-diamine;1,2,2,3-tetramethylpiperidine

C15H35N3 — CID 175440948

IUPAChexane-1,6-diamine;1,2,2,3-tetramethylpiperidine
SMILESCC1CCCN(C)C1(C)C.NCCCCCCN
InChIInChI=1S/C9H19N.C6H16N2/c1-8-6-5-7-10(4)9(8,2)3;7-5-3-1-2-4-6-8/h8H,5-7H2,1-4H3;1-8H2
InChIKeyZAUNTMSAMKRXBD-UHFFFAOYSA-N
MW257.47 g/mol
LogP2.59
Rot. Bonds5

About hexane-1,6-diamine;1,2,2,3-tetramethylpiperidine

hexane-1,6-diamine;1,2,2,3-tetramethylpiperidine (PubChem CID 175440948) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is hexane-1,6-diamine;1,2,2,3-tetramethylpiperidine.

Molecular Properties

Compound Namehexane-1,6-diamine;1,2,2,3-tetramethylpiperidine
PubChem CID175440948
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC Namehexane-1,6-diamine;1,2,2,3-tetramethylpiperidine
SMILESCC1CCCN(C)C1(C)C.NCCCCCCN
InChIInChI=1S/C9H19N.C6H16N2/c1-8-6-5-7-10(4)9(8,2)3;7-5-3-1-2-4-6-8/h8H,5-7H2,1-4H3;1-8H2
InChIKeyZAUNTMSAMKRXBD-UHFFFAOYSA-N
XLogP2.59
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 hexane-1,6-diamine;1,2,2,3-tetramethylpiperidine?
The IUPAC name of hexane-1,6-diamine;1,2,2,3-tetramethylpiperidine (CID 175440948) is hexane-1,6-diamine;1,2,2,3-tetramethylpiperidine.
What is the SMILES notation for hexane-1,6-diamine;1,2,2,3-tetramethylpiperidine?
The canonical SMILES for hexane-1,6-diamine;1,2,2,3-tetramethylpiperidine is CC1CCCN(C)C1(C)C.NCCCCCCN.
What is the InChIKey of hexane-1,6-diamine;1,2,2,3-tetramethylpiperidine?
The InChIKey is ZAUNTMSAMKRXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C6H16N2/c1-8-6-5-7-10(4)9(8,2)3;7-5-3-1-2-4-6-8/h8H,5-7H2,1-4H3;1-8H2.
What are the key properties of hexane-1,6-diamine;1,2,2,3-tetramethylpiperidine?
hexane-1,6-diamine;1,2,2,3-tetramethylpiperidine has a molecular weight of 257.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,6-diamine;1,2,2,3-tetramethylpiperidine is sourced from PubChem (CID 175440948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).