N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine

C15H32N2 — CID 106707901

IUPACN'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine
SMILESCCCN(CCCCC(C)(C)CN)CC1CC1
InChIInChI=1S/C15H32N2/c1-4-10-17(12-14-7-8-14)11-6-5-9-15(2,3)13-16/h14H,4-13,16H2,1-3H3
InChIKeyIBQNPHXPORADBD-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.26
Rot. Bonds10

About N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine

N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine (PubChem CID 106707901) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine
PubChem CID106707901
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine
SMILESCCCN(CCCCC(C)(C)CN)CC1CC1
InChIInChI=1S/C15H32N2/c1-4-10-17(12-14-7-8-14)11-6-5-9-15(2,3)13-16/h14H,4-13,16H2,1-3H3
InChIKeyIBQNPHXPORADBD-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylpentane-1,5-diamine
CID 65254511
N',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 65247386
N-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
6-[cyclopropylmethyl(propyl)amino]-2-methyl-2-(methylamino)hexan-1-ol
CID 64826327
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 65254258
N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 62258479
N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine
CID 61445615
4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide
CID 65252334
2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine
CID 79667897
2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine
CID 61443395
4-[cyclopropylmethyl(propyl)amino]butanoic acid
CID 61441614

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine (CID 106707901) is N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine is CCCN(CCCCC(C)(C)CN)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine?
The InChIKey is IBQNPHXPORADBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-10-17(12-14-7-8-14)11-6-5-9-15(2,3)13-16/h14H,4-13,16H2,1-3H3.
What are the key properties of N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine?
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine is sourced from PubChem (CID 106707901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).