4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine

C16H27NO — CID 65090187

IUPAC4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(NCc2ccco2)CC1
InChIInChI=1S/C16H27NO/c1-16(2,3)13-6-4-7-14(10-9-13)17-12-15-8-5-11-18-15/h5,8,11,13-14,17H,4,6-7,9-10,12H2,1-3H3
InChIKeyBTCBOWFUFJWPSX-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.36
Rot. Bonds3

About 4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine

4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine (PubChem CID 65090187) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
PubChem CID65090187
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(NCc2ccco2)CC1
InChIInChI=1S/C16H27NO/c1-16(2,3)13-6-4-7-14(10-9-13)17-12-15-8-5-11-18-15/h5,8,11,13-14,17H,4,6-7,9-10,12H2,1-3H3
InChIKeyBTCBOWFUFJWPSX-UHFFFAOYSA-N
XLogP4.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine
CID 115633827
[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol
CID 107229780
tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
CID 78998933
4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65090954
4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol
CID 114331493
N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine
CID 65086403
tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
CID 75365791
4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine
CID 65089981
1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone
CID 83171692
3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine
CID 115656792
N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43754956
N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine
CID 65080639

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine (CID 65090187) is 4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine is CC(C)(C)C1CCCC(NCc2ccco2)CC1.
What is the InChIKey of 4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine?
The InChIKey is BTCBOWFUFJWPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-16(2,3)13-6-4-7-14(10-9-13)17-12-15-8-5-11-18-15/h5,8,11,13-14,17H,4,6-7,9-10,12H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine?
4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 65090187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).