1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine

C14H30N2 — CID 80705046

IUPAC1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine
SMILESCCCN(C(C)C)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C14H30N2/c1-6-9-16(12(2)3)14(11-15)8-7-13(4,5)10-14/h12H,6-11,15H2,1-5H3
InChIKeyZDMFDLUOXVVHIH-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.01
Rot. Bonds5

About 1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine

1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine (PubChem CID 80705046) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine
PubChem CID80705046
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine
SMILESCCCN(C(C)C)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C14H30N2/c1-6-9-16(12(2)3)14(11-15)8-7-13(4,5)10-14/h12H,6-11,15H2,1-5H3
InChIKeyZDMFDLUOXVVHIH-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine
CID 80705971
3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine
CID 62871309
4-(aminomethyl)-N-propan-2-yl-N-propyloxepan-4-amine
CID 65079379
1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65087976
1-(aminomethyl)-2,4,4-trimethyl-N-propan-2-yl-N-propylcyclohexan-1-amine
CID 81320581
1-(aminomethyl)-2,2-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine
CID 79857560
N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
CID 80705611
3-(aminomethyl)-5-methyl-N-propan-2-yl-N-propylthiolan-3-amine
CID 79950217
1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine
CID 43269449
3-(aminomethyl)-N,5,5-trimethyl-N-propylthian-3-amine
CID 79958584
1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine
CID 107869553
3-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-5,5-dimethylthian-3-amine
CID 79958837

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine (CID 80705046) is 1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine is CCCN(C(C)C)C1(CN)CCC(C)(C)C1.
What is the InChIKey of 1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine?
The InChIKey is ZDMFDLUOXVVHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-9-16(12(2)3)14(11-15)8-7-13(4,5)10-14/h12H,6-11,15H2,1-5H3.
What are the key properties of 1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine?
1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 80705046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).