N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine

C12H20N2O — CID 103982613

IUPACN-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine
SMILESC[C@H](NC1CCCNCC1)c1ccco1
InChIInChI=1S/C12H20N2O/c1-10(12-5-3-9-15-12)14-11-4-2-7-13-8-6-11/h3,5,9-11,13-14H,2,4,6-8H2,1H3/t10-,11?/m0/s1
InChIKeyLUWVHJDHMSWQOK-VUWPPUDQSA-N
MW208.31 g/mol
LogP2.07
Rot. Bonds3

About N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine

N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine (PubChem CID 103982613) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine
PubChem CID103982613
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine
SMILESC[C@H](NC1CCCNCC1)c1ccco1
InChIInChI=1S/C12H20N2O/c1-10(12-5-3-9-15-12)14-11-4-2-7-13-8-6-11/h3,5,9-11,13-14H,2,4,6-8H2,1H3/t10-,11?/m0/s1
InChIKeyLUWVHJDHMSWQOK-VUWPPUDQSA-N
XLogP2.07
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine (CID 103982613) is N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine is C[C@H](NC1CCCNCC1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine?
The InChIKey is LUWVHJDHMSWQOK-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(12-5-3-9-15-12)14-11-4-2-7-13-8-6-11/h3,5,9-11,13-14H,2,4,6-8H2,1H3/t10-,11?/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine?
N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine has a molecular weight of 208.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine is sourced from PubChem (CID 103982613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).