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

C17H36N2S — CID 115985690

IUPAC1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine
SMILESCCC(CSC)N(C)C1(CN)CCCC(C(C)C)CC1
InChIInChI=1S/C17H36N2S/c1-6-16(12-20-5)19(4)17(13-18)10-7-8-15(9-11-17)14(2)3/h14-16H,6-13,18H2,1-5H3
InChIKeyQIOPJIZCQUTFEV-UHFFFAOYSA-N
MW300.56 g/mol
LogP3.99
Rot. Bonds7

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

1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 115985690) has the molecular formula C17H36N2S and a molecular weight of 300.56 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID115985690
Molecular FormulaC17H36N2S
Molecular Weight300.56 g/mol
Exact Mass300.26
IUPAC Name1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine
SMILESCCC(CSC)N(C)C1(CN)CCCC(C(C)C)CC1
InChIInChI=1S/C17H36N2S/c1-6-16(12-20-5)19(4)17(13-18)10-7-8-15(9-11-17)14(2)3/h14-16H,6-13,18H2,1-5H3
InChIKeyQIOPJIZCQUTFEV-UHFFFAOYSA-N
XLogP3.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 115985663
4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,1-dioxothian-4-amine
CID 112658472
4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine
CID 112658408
1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091585
1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091297
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine
CID 112658500
1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 43570878
N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65089094
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62704477
1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine
CID 112658341
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine
CID 65091731
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 107397782

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine (CID 115985690) is 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine is CCC(CSC)N(C)C1(CN)CCCC(C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is QIOPJIZCQUTFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2S/c1-6-16(12-20-5)19(4)17(13-18)10-7-8-15(9-11-17)14(2)3/h14-16H,6-13,18H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine?
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 300.56 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 115985690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).