1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine

C16H34N2 — CID 63983309

IUPAC1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCC(C)(C)N(C)C1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-7-15(4,5)18(6)16(12-17)10-8-14(9-11-16)13(2)3/h13-14H,7-12,17H2,1-6H3
InChIKeyWEGCBLRGRAPZKS-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds5

About 1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63983309) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID63983309
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCC(C)(C)N(C)C1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-7-15(4,5)18(6)16(12-17)10-8-14(9-11-16)13(2)3/h13-14H,7-12,17H2,1-6H3
InChIKeyWEGCBLRGRAPZKS-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 63982455
1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091585
1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine
CID 63467007
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62704477
3-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)thiolan-3-amine
CID 63983320
1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091297
1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63471719
1-(aminomethyl)-N,2-dimethyl-N-(2-methylbutan-2-yl)cyclopentan-1-amine
CID 65045429
N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65089094
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine
CID 115985690
1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63233140
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65089199

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine (CID 63983309) is 1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine is CCC(C)(C)N(C)C1(CN)CCC(C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is WEGCBLRGRAPZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-15(4,5)18(6)16(12-17)10-8-14(9-11-16)13(2)3/h13-14H,7-12,17H2,1-6H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 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-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63983309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).