1-carbazol-9-ylhexan-3-amine

C18H22N2 — CID 174371525

IUPAC1-carbazol-9-ylhexan-3-amine
SMILESCCCC(N)CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H22N2/c1-2-7-14(19)12-13-20-17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14H,2,7,12-13,19H2,1H3
InChIKeyKHKUGFRKOOFNLB-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.31
Rot. Bonds5

About 1-carbazol-9-ylhexan-3-amine

1-carbazol-9-ylhexan-3-amine (PubChem CID 174371525) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-carbazol-9-ylhexan-3-amine.

Molecular Properties

Compound Name1-carbazol-9-ylhexan-3-amine
PubChem CID174371525
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-carbazol-9-ylhexan-3-amine
SMILESCCCC(N)CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H22N2/c1-2-7-14(19)12-13-20-17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14H,2,7,12-13,19H2,1H3
InChIKeyKHKUGFRKOOFNLB-UHFFFAOYSA-N
XLogP4.31
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-ylhexan-3-amine?
The IUPAC name of 1-carbazol-9-ylhexan-3-amine (CID 174371525) is 1-carbazol-9-ylhexan-3-amine.
What is the SMILES notation for 1-carbazol-9-ylhexan-3-amine?
The canonical SMILES for 1-carbazol-9-ylhexan-3-amine is CCCC(N)CCn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-ylhexan-3-amine?
The InChIKey is KHKUGFRKOOFNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-7-14(19)12-13-20-17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14H,2,7,12-13,19H2,1H3.
What are the key properties of 1-carbazol-9-ylhexan-3-amine?
1-carbazol-9-ylhexan-3-amine has a molecular weight of 266.39 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-ylhexan-3-amine is sourced from PubChem (CID 174371525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).