4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine

C17H29NO — CID 65082213

IUPAC4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine
SMILESCCC1CCCC(NC(C)CCc2ccco2)CC1
InChIInChI=1S/C17H29NO/c1-3-15-6-4-7-16(11-10-15)18-14(2)9-12-17-8-5-13-19-17/h5,8,13-16,18H,3-4,6-7,9-12H2,1-2H3
InChIKeyNLLRDQDEUKUFCY-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.55
Rot. Bonds6

About 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine

4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine (PubChem CID 65082213) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine
PubChem CID65082213
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine
SMILESCCC1CCCC(NC(C)CCc2ccco2)CC1
InChIInChI=1S/C17H29NO/c1-3-15-6-4-7-16(11-10-15)18-14(2)9-12-17-8-5-13-19-17/h5,8,13-16,18H,3-4,6-7,9-12H2,1-2H3
InChIKeyNLLRDQDEUKUFCY-UHFFFAOYSA-N
XLogP4.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55191977
N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 63360149
1-ethylsulfonyl-N-[4-(furan-2-yl)butan-2-yl]piperidin-4-amine
CID 43478927
1-[4-[4-(furan-2-yl)butan-2-ylamino]piperidin-1-yl]ethanone
CID 43224097
trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 124726359
N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65081351
N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine
CID 104584627
2-[(4-ethylcyclohexyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 61469898
furan-3-yl-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]methanone
CID 97229211
N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine
CID 65086403
N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine
CID 79899013
4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine
CID 63086190

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine (CID 65082213) is 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine is CCC1CCCC(NC(C)CCc2ccco2)CC1.
What is the InChIKey of 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine?
The InChIKey is NLLRDQDEUKUFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-15-6-4-7-16(11-10-15)18-14(2)9-12-17-8-5-13-19-17/h5,8,13-16,18H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine?
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine is sourced from PubChem (CID 65082213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).