N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine

C17H29NO — CID 65083318

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(NC(C)c2cc(C)oc2C)CC1
InChIInChI=1S/C17H29NO/c1-5-15-7-6-8-16(10-9-15)18-13(3)17-11-12(2)19-14(17)4/h11,13,15-16,18H,5-10H2,1-4H3
InChIKeyMGVTWXWEIFMVKN-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.91
Rot. Bonds4

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine (PubChem CID 65083318) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine
PubChem CID65083318
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(NC(C)c2cc(C)oc2C)CC1
InChIInChI=1S/C17H29NO/c1-5-15-7-6-8-16(10-9-15)18-13(3)17-11-12(2)19-14(17)4/h11,13,15-16,18H,5-10H2,1-4H3
InChIKeyMGVTWXWEIFMVKN-UHFFFAOYSA-N
XLogP4.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine
CID 79459068
N-[1-(2,5-dimethylfuran-3-yl)ethyl]thian-3-amine
CID 62870946
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine
CID 81380737
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81383002
(1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine
CID 124850379
N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine
CID 79741678
N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 65083844
N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine
CID 104579144
2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol
CID 61466696
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81365963
4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine
CID 81407640

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine (CID 65083318) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine is CCC1CCCC(NC(C)c2cc(C)oc2C)CC1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine?
The InChIKey is MGVTWXWEIFMVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-15-7-6-8-16(10-9-15)18-13(3)17-11-12(2)19-14(17)4/h11,13,15-16,18H,5-10H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethylcycloheptan-1-amine is sourced from PubChem (CID 65083318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).