1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine

C12H26N2 — CID 61426013

IUPAC1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine
SMILESCC(C)CCN(C)C1(CN)CCCC1
InChIInChI=1S/C12H26N2/c1-11(2)6-9-14(3)12(10-13)7-4-5-8-12/h11H,4-10,13H2,1-3H3
InChIKeyBYNCENWNDVVQJR-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds5

About 1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine

1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine (PubChem CID 61426013) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine
PubChem CID61426013
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine
SMILESCC(C)CCN(C)C1(CN)CCCC1
InChIInChI=1S/C12H26N2/c1-11(2)6-9-14(3)12(10-13)7-4-5-8-12/h11H,4-10,13H2,1-3H3
InChIKeyBYNCENWNDVVQJR-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N,4,4-trimethyl-N-(3-methylbutyl)cycloheptan-1-amine
CID 65088221
1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclopentan-1-amine
CID 43271983
1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine
CID 43271985
1-(aminomethyl)-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 106450883
1-(aminomethyl)-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine
CID 61427409
1-(aminomethyl)-N-(3-fluoropropyl)-N-methylcyclopentan-1-amine
CID 81106189
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 62004877
1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine
CID 115985606
3-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-propan-2-ylpropanamide
CID 55098337
3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine
CID 79950945
1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine
CID 107869553
1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 64552919

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine (CID 61426013) is 1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine is CC(C)CCN(C)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine?
The InChIKey is BYNCENWNDVVQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2)6-9-14(3)12(10-13)7-4-5-8-12/h11H,4-10,13H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine?
1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine is sourced from PubChem (CID 61426013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).