N'-tert-butyl-N-cyclopropyloctane-1,8-diamine

C15H32N2 — CID 66338082

IUPACN'-tert-butyl-N-cyclopropyloctane-1,8-diamine
SMILESCC(C)(C)NCCCCCCCCNC1CC1
InChIInChI=1S/C15H32N2/c1-15(2,3)17-13-9-7-5-4-6-8-12-16-14-10-11-14/h14,16-17H,4-13H2,1-3H3
InChIKeyJOMSJTJQJNCMKG-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.47
Rot. Bonds10

About N'-tert-butyl-N-cyclopropyloctane-1,8-diamine

N'-tert-butyl-N-cyclopropyloctane-1,8-diamine (PubChem CID 66338082) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-tert-butyl-N-cyclopropyloctane-1,8-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-cyclopropyloctane-1,8-diamine
PubChem CID66338082
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-tert-butyl-N-cyclopropyloctane-1,8-diamine
SMILESCC(C)(C)NCCCCCCCCNC1CC1
InChIInChI=1S/C15H32N2/c1-15(2,3)17-13-9-7-5-4-6-8-12-16-14-10-11-14/h14,16-17H,4-13H2,1-3H3
InChIKeyJOMSJTJQJNCMKG-UHFFFAOYSA-N
XLogP3.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.47
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,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N'-cyclopropyl-N-ethylheptane-1,7-diamine
CID 66321914
N-tert-butyl-4-cyclopentyloxybutan-1-amine
CID 62443463
5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol
CID 107302888
N-(5-fluoropentyl)cyclopropanamine
CID 130516776
N-tert-butylnonadecan-1-amine
CID 87846739
N-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine
CID 66336792
N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine
CID 62418711
N-(6,6-dimethylheptyl)piperidin-4-amine
CID 170373818
N'-cyclopropyl-N-decylpropane-1,3-diamine
CID 113410376
N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine
CID 65301069
2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid
CID 114988166

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-cyclopropyloctane-1,8-diamine?
The IUPAC name of N'-tert-butyl-N-cyclopropyloctane-1,8-diamine (CID 66338082) is N'-tert-butyl-N-cyclopropyloctane-1,8-diamine.
What is the SMILES notation for N'-tert-butyl-N-cyclopropyloctane-1,8-diamine?
The canonical SMILES for N'-tert-butyl-N-cyclopropyloctane-1,8-diamine is CC(C)(C)NCCCCCCCCNC1CC1.
What is the InChIKey of N'-tert-butyl-N-cyclopropyloctane-1,8-diamine?
The InChIKey is JOMSJTJQJNCMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-15(2,3)17-13-9-7-5-4-6-8-12-16-14-10-11-14/h14,16-17H,4-13H2,1-3H3.
What are the key properties of N'-tert-butyl-N-cyclopropyloctane-1,8-diamine?
N'-tert-butyl-N-cyclopropyloctane-1,8-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-cyclopropyloctane-1,8-diamine is sourced from PubChem (CID 66338082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).