1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine

C18H32N2O — CID 63471377

IUPAC1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine
SMILESCc1occc1CN(C)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H32N2O/c1-14-15(8-11-21-14)12-20(5)18(13-19)9-6-16(7-10-18)17(2,3)4/h8,11,16H,6-7,9-10,12-13,19H2,1-5H3
InChIKeyYPVCLQVBRMCBPD-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.95
Rot. Bonds4

About 1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine

1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine (PubChem CID 63471377) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine
PubChem CID63471377
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine
SMILESCc1occc1CN(C)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H32N2O/c1-14-15(8-11-21-14)12-20(5)18(13-19)9-6-16(7-10-18)17(2,3)4/h8,11,16H,6-7,9-10,12-13,19H2,1-5H3
InChIKeyYPVCLQVBRMCBPD-UHFFFAOYSA-N
XLogP3.95
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine (CID 63471377) is 1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine is Cc1occc1CN(C)C1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is YPVCLQVBRMCBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-14-15(8-11-21-14)12-20(5)18(13-19)9-6-16(7-10-18)17(2,3)4/h8,11,16H,6-7,9-10,12-13,19H2,1-5H3.
What are the key properties of 1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine?
1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63471377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).