(1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine

C18H23N3 — CID 171232656

IUPAC(1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine
SMILESCCn1c2ccccc2c2cc([C@@H](N)CCCN)ccc21
InChIInChI=1S/C18H23N3/c1-2-21-17-8-4-3-6-14(17)15-12-13(9-10-18(15)21)16(20)7-5-11-19/h3-4,6,8-10,12,16H,2,5,7,11,19-20H2,1H3/t16-/m0/s1
InChIKeyKBNDDGYVQBJNFC-INIZCTEOSA-N
MW281.40 g/mol
LogP3.55
Rot. Bonds5

About (1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine

(1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine (PubChem CID 171232656) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is (1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine.

Molecular Properties

Compound Name(1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine
PubChem CID171232656
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name(1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine
SMILESCCn1c2ccccc2c2cc([C@@H](N)CCCN)ccc21
InChIInChI=1S/C18H23N3/c1-2-21-17-8-4-3-6-14(17)15-12-13(9-10-18(15)21)16(20)7-5-11-19/h3-4,6,8-10,12,16H,2,5,7,11,19-20H2,1H3/t16-/m0/s1
InChIKeyKBNDDGYVQBJNFC-INIZCTEOSA-N
XLogP3.55
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Dimethyltryptamine
CID 6089
Carbazole
CID 6854
(+-)-alpha-Methyltryptamine
CID 9287
Iprindole
CID 21722
Alpha-Ethyltryptamine
CID 8367
Latrepirdine
CID 197033
N,N-Diethyltryptamine
CID 6090
3-Amino-9-ethylcarbazole
CID 8588
Rimcazole
CID 53389
LE-300
CID 4350931
Mebhydrolin
CID 22530
Pirlindole
CID 68802

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine?
The IUPAC name of (1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine (CID 171232656) is (1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine.
What is the SMILES notation for (1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine?
The canonical SMILES for (1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine is CCn1c2ccccc2c2cc([C@@H](N)CCCN)ccc21.
What is the InChIKey of (1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine?
The InChIKey is KBNDDGYVQBJNFC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-21-17-8-4-3-6-14(17)15-12-13(9-10-18(15)21)16(20)7-5-11-19/h3-4,6,8-10,12,16H,2,5,7,11,19-20H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine?
(1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine has a molecular weight of 281.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine is sourced from PubChem (CID 171232656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).