2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine

C17H30N2O — CID 61421823

IUPAC2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCN(Cc1ccoc1)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C17H30N2O/c1-17(2,3)15-6-5-14(10-18)16(9-15)19(4)11-13-7-8-20-12-13/h7-8,12,14-16H,5-6,9-11,18H2,1-4H3
InChIKeyRGEMLQKDQMOVGG-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.50
Rot. Bonds4

About 2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine

2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine (PubChem CID 61421823) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine
PubChem CID61421823
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCN(Cc1ccoc1)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C17H30N2O/c1-17(2,3)15-6-5-14(10-18)16(9-15)19(4)11-13-7-8-20-12-13/h7-8,12,14-16H,5-6,9-11,18H2,1-4H3
InChIKeyRGEMLQKDQMOVGG-UHFFFAOYSA-N
XLogP3.50
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine
CID 61421776
2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine
CID 61421775
2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 61422604
4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol
CID 83183283
1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine
CID 61422884
2-(aminomethyl)-5-tert-butyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293395
4-N-(furan-3-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
CID 62807618
4-[furan-3-ylmethyl(methyl)amino]pyrrolidin-3-ol
CID 63702901
2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine
CID 63404415
1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83175246
2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide
CID 43575620
(2,4-ditert-butylcyclohexyl)methanamine
CID 81012705

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine (CID 61421823) is 2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine is CN(Cc1ccoc1)C1CC(C(C)(C)C)CCC1CN.
What is the InChIKey of 2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine?
The InChIKey is RGEMLQKDQMOVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-17(2,3)15-6-5-14(10-18)16(9-15)19(4)11-13-7-8-20-12-13/h7-8,12,14-16H,5-6,9-11,18H2,1-4H3.
What are the key properties of 2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine?
2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 61421823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).