1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine

C17H30N2O — CID 61422884

IUPAC1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCN(Cc1ccoc1)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H30N2O/c1-16(2,3)15-5-8-17(13-18,9-6-15)19(4)11-14-7-10-20-12-14/h7,10,12,15H,5-6,8-9,11,13,18H2,1-4H3
InChIKeyQAUUALAJJYHXMC-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.65
Rot. Bonds4

About 1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine

1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine (PubChem CID 61422884) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine
PubChem CID61422884
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCN(Cc1ccoc1)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H30N2O/c1-16(2,3)15-5-8-17(13-18,9-6-15)19(4)11-14-7-10-20-12-14/h7,10,12,15H,5-6,8-9,11,13,18H2,1-4H3
InChIKeyQAUUALAJJYHXMC-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine
CID 61422834
1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine
CID 63471377
4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine
CID 65079500
2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine
CID 61421823
2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 63631153
1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile
CID 164650443
2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine
CID 61421775
1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 63487165
1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83175246
2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid
CID 65240642
1-(aminomethyl)-N-benzyl-N-methylcyclopropan-1-amine
CID 106661010
2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 61422604

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine (CID 61422884) is 1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine is CN(Cc1ccoc1)C1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine?
The InChIKey is QAUUALAJJYHXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-16(2,3)15-5-8-17(13-18,9-6-15)19(4)11-14-7-10-20-12-14/h7,10,12,15H,5-6,8-9,11,13,18H2,1-4H3.
What are the key properties of 1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine?
1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.65, 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-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 61422884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).