2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine

C17H34N2 — CID 78991235

IUPAC2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CN(CCC(C)C)C1CC1
InChIInChI=1S/C17H34N2/c1-4-11-18-17-7-5-6-15(17)13-19(16-8-9-16)12-10-14(2)3/h14-18H,4-13H2,1-3H3
InChIKeyPUQJKWDZSLJNCO-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds9

About 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine

2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine (PubChem CID 78991235) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine
PubChem CID78991235
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CN(CCC(C)C)C1CC1
InChIInChI=1S/C17H34N2/c1-4-11-18-17-7-5-6-15(17)13-19(16-8-9-16)12-10-14(2)3/h14-18H,4-13H2,1-3H3
InChIKeyPUQJKWDZSLJNCO-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylcyclopentan-1-amine
CID 78991239
N-ethyl-N-[[2-(propylamino)cyclopentyl]methyl]cyclohexanamine
CID 62615159
2-[[cyclopropyl(propyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 62615562
2-(3-methylbutyl)-N-propylcyclopentan-1-amine
CID 61381970
N-ethyl-2-[[methyl(3-methylbutyl)amino]methyl]cycloheptan-1-amine
CID 62610199
2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 63493052
3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine
CID 103060604
2-[[cycloheptyl(methyl)amino]methyl]-N-propylcycloheptan-1-amine
CID 63493452
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62611397
N,1-dimethyl-N-[[2-(propylamino)cyclopentyl]methyl]piperidin-3-amine
CID 55094812
2-[2-[cyclopropyl(methyl)amino]ethyl]-N-propylcyclopentan-1-amine
CID 79569650

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine (CID 78991235) is 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CN(CCC(C)C)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine?
The InChIKey is PUQJKWDZSLJNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-11-18-17-7-5-6-15(17)13-19(16-8-9-16)12-10-14(2)3/h14-18H,4-13H2,1-3H3.
What are the key properties of 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine?
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 78991235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).