1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine

C19H38N2 — CID 79064554

IUPAC1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCNC(C1CCC(C)C(C)C1)C1(N(C)C)CCCCCC1
InChIInChI=1S/C19H38N2/c1-15-10-11-17(14-16(15)2)18(20-3)19(21(4)5)12-8-6-7-9-13-19/h15-18,20H,6-14H2,1-5H3
InChIKeyXGFWNYBVXIFMRP-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.30
Rot. Bonds4

About 1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine

1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 79064554) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID79064554
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCNC(C1CCC(C)C(C)C1)C1(N(C)C)CCCCCC1
InChIInChI=1S/C19H38N2/c1-15-10-11-17(14-16(15)2)18(20-3)19(21(4)5)12-8-6-7-9-13-19/h15-18,20H,6-14H2,1-5H3
InChIKeyXGFWNYBVXIFMRP-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770194
1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79057711
N,N-dimethyl-1-[methylamino(oxolan-3-yl)methyl]cyclopentan-1-amine
CID 79069983
1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066377
[(3,4-dimethylcyclohexyl)-(1-ethoxycycloheptyl)methyl]hydrazine
CID 105278479
N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764131
N,N-dimethyl-1-[methylamino-(2-phenylcyclopropyl)methyl]cyclopentan-1-amine
CID 116517695
1-(3,4-dimethylcyclohexyl)-1-(4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 65390042
N,N-dimethyl-1-[(4-methylcyclohexyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070623
1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
CID 64986980
1-[(3,5-dimethylcyclohexyl)-(methylamino)methyl]-N,N-diethylcyclopentan-1-amine
CID 79059409
1-[cycloheptyl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243452

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine (CID 79064554) is 1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine is CNC(C1CCC(C)C(C)C1)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is XGFWNYBVXIFMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-15-10-11-17(14-16(15)2)18(20-3)19(21(4)5)12-8-6-7-9-13-19/h15-18,20H,6-14H2,1-5H3.
What are the key properties of 1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79064554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).