2-(cyclopropylmethyl)-N'-(2-ethylcyclopropyl)hexane-1,6-diamine

C15H30N2 — CID 167200007

IUPAC2-(cyclopropylmethyl)-N'-(2-ethylcyclopropyl)hexane-1,6-diamine
SMILESCCC1CC1NCCCCC(CN)CC1CC1
InChIInChI=1S/C15H30N2/c1-2-14-10-15(14)17-8-4-3-5-13(11-16)9-12-6-7-12/h12-15,17H,2-11,16H2,1H3
InChIKeyYAWUPEHMQUXRPB-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.92
Rot. Bonds10

About 2-(cyclopropylmethyl)-N'-(2-ethylcyclopropyl)hexane-1,6-diamine

2-(cyclopropylmethyl)-N'-(2-ethylcyclopropyl)hexane-1,6-diamine (PubChem CID 167200007) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N'-(2-ethylcyclopropyl)hexane-1,6-diamine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N'-(2-ethylcyclopropyl)hexane-1,6-diamine
PubChem CID167200007
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-(cyclopropylmethyl)-N'-(2-ethylcyclopropyl)hexane-1,6-diamine
SMILESCCC1CC1NCCCCC(CN)CC1CC1
InChIInChI=1S/C15H30N2/c1-2-14-10-15(14)17-8-4-3-5-13(11-16)9-12-6-7-12/h12-15,17H,2-11,16H2,1H3
InChIKeyYAWUPEHMQUXRPB-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-2-ethylcyclopropan-1-amine
CID 103783824
2-(cyclopentylmethyl)pentan-1-amine
CID 62503490
N'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine
CID 114108419
4-(cyclopropylmethyl)decan-1-amine
CID 151721982
2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine
CID 81080370
1-N-(2-methylcyclopropyl)hexane-1,5-diamine
CID 82853010
4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine
CID 176986857
2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine
CID 82929498
2-ethyl-N-heptylcyclohexan-1-amine
CID 43709374
3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64908358
N'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine
CID 141360675
3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine
CID 64920630

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N'-(2-ethylcyclopropyl)hexane-1,6-diamine?
The IUPAC name of 2-(cyclopropylmethyl)-N'-(2-ethylcyclopropyl)hexane-1,6-diamine (CID 167200007) is 2-(cyclopropylmethyl)-N'-(2-ethylcyclopropyl)hexane-1,6-diamine.
What is the SMILES notation for 2-(cyclopropylmethyl)-N'-(2-ethylcyclopropyl)hexane-1,6-diamine?
The canonical SMILES for 2-(cyclopropylmethyl)-N'-(2-ethylcyclopropyl)hexane-1,6-diamine is CCC1CC1NCCCCC(CN)CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-N'-(2-ethylcyclopropyl)hexane-1,6-diamine?
The InChIKey is YAWUPEHMQUXRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-2-14-10-15(14)17-8-4-3-5-13(11-16)9-12-6-7-12/h12-15,17H,2-11,16H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-N'-(2-ethylcyclopropyl)hexane-1,6-diamine?
2-(cyclopropylmethyl)-N'-(2-ethylcyclopropyl)hexane-1,6-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.92, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N'-(2-ethylcyclopropyl)hexane-1,6-diamine is sourced from PubChem (CID 167200007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).