1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine

C15H30N2 — CID 65091585

IUPAC1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(CN)(N(C)C2CC2)CC1
InChIInChI=1S/C15H30N2/c1-12(2)13-5-4-9-15(11-16,10-8-13)17(3)14-6-7-14/h12-14H,4-11,16H2,1-3H3
InChIKeySRVYGFJYLOFYFD-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.01
Rot. Bonds4

About 1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine

1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65091585) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
PubChem CID65091585
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(CN)(N(C)C2CC2)CC1
InChIInChI=1S/C15H30N2/c1-12(2)13-5-4-9-15(11-16,10-8-13)17(3)14-6-7-14/h12-14H,4-11,16H2,1-3H3
InChIKeySRVYGFJYLOFYFD-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine
CID 65091731
1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine
CID 63467007
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65089199
1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091297
N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65089094
N-[1-(aminomethyl)cyclopropyl]-N-methylcyclohexanamine
CID 106660997
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine
CID 115985690
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 107397782
1-(aminomethyl)-N-cyclohexyl-N,4-dimethylcyclohexan-1-amine
CID 43409627
N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 79520724
1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine
CID 63983309
N'-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,N,N'-trimethylethane-1,2-diamine
CID 107449117

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine (CID 65091585) is 1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(CN)(N(C)C2CC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is SRVYGFJYLOFYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(2)13-5-4-9-15(11-16,10-8-13)17(3)14-6-7-14/h12-14H,4-11,16H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine?
1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65091585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).