1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine

C18H37N3 — CID 63233140

IUPAC1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(CN)(N(C)CC2CCN(C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-15(2)17-5-9-18(14-19,10-6-17)21(4)13-16-7-11-20(3)12-8-16/h15-17H,5-14,19H2,1-4H3
InChIKeyJNCUTNFZRBNYPX-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.80
Rot. Bonds5

About 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63233140) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID63233140
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(CN)(N(C)CC2CCN(C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-15(2)17-5-9-18(14-19,10-6-17)21(4)13-16-7-11-20(3)12-8-16/h15-17H,5-14,19H2,1-4H3
InChIKeyJNCUTNFZRBNYPX-UHFFFAOYSA-N
XLogP2.80
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-amine
CID 55175188
1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 63275986
3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine
CID 55175382
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine
CID 65091731
4-(aminomethyl)-N-(cyclopropylmethyl)-N-methyloxan-4-amine
CID 60984888
1-(aminomethyl)-N-(cyclopropylmethyl)-N-methylcyclooctan-1-amine
CID 60985128
4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine
CID 65076127
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylpiperidin-4-amine
CID 55249827
1-(aminomethyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine
CID 79521344
3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 81467794
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63014800
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 63233140) is 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(CN)(N(C)CC2CCN(C)CC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is JNCUTNFZRBNYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-15(2)17-5-9-18(14-19,10-6-17)21(4)13-16-7-11-20(3)12-8-16/h15-17H,5-14,19H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.80, 5 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-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63233140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).