(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine

C13H19N3 — CID 171217468

IUPAC(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine
SMILESNCCCC[C@H](N)c1c[nH]c2ccccc12
InChIInChI=1S/C13H19N3/c14-8-4-3-6-12(15)11-9-16-13-7-2-1-5-10(11)13/h1-2,5,7,9,12,16H,3-4,6,8,14-15H2/t12-/m0/s1
InChIKeySFYQIWJWCKUAJZ-LBPRGKRZSA-N
MW217.32 g/mol
LogP2.30
Rot. Bonds5

About (1S)-1-(1H-indol-3-yl)pentane-1,5-diamine

(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine (PubChem CID 171217468) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (1S)-1-(1H-indol-3-yl)pentane-1,5-diamine.

Molecular Properties

Compound Name(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine
PubChem CID171217468
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine
SMILESNCCCC[C@H](N)c1c[nH]c2ccccc12
InChIInChI=1S/C13H19N3/c14-8-4-3-6-12(15)11-9-16-13-7-2-1-5-10(11)13/h1-2,5,7,9,12,16H,3-4,6,8,14-15H2/t12-/m0/s1
InChIKeySFYQIWJWCKUAJZ-LBPRGKRZSA-N
XLogP2.30
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
CID 171197968
(1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride
CID 171205497
6-ethyl-5-(1H-indol-3-yl)octan-1-amine
CID 173349471
1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol
CID 163917154
4-amino-4-(1H-indol-3-yl)butanoic acid
CID 82614837
3-amino-1-(1H-indol-3-yl)propan-1-ol
CID 82281300
(1S)-1-(1H-indol-3-yl)but-3-en-1-amine
CID 55270742
1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 116935052
2-(1,6-diaminohexyl)phenol
CID 19366084
N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine
CID 116934899
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
2-(1H-indol-3-yl)propan-1-amine
CID 6452095

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1H-indol-3-yl)pentane-1,5-diamine?
The IUPAC name of (1S)-1-(1H-indol-3-yl)pentane-1,5-diamine (CID 171217468) is (1S)-1-(1H-indol-3-yl)pentane-1,5-diamine.
What is the SMILES notation for (1S)-1-(1H-indol-3-yl)pentane-1,5-diamine?
The canonical SMILES for (1S)-1-(1H-indol-3-yl)pentane-1,5-diamine is NCCCC[C@H](N)c1c[nH]c2ccccc12.
What is the InChIKey of (1S)-1-(1H-indol-3-yl)pentane-1,5-diamine?
The InChIKey is SFYQIWJWCKUAJZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N3/c14-8-4-3-6-12(15)11-9-16-13-7-2-1-5-10(11)13/h1-2,5,7,9,12,16H,3-4,6,8,14-15H2/t12-/m0/s1.
What are the key properties of (1S)-1-(1H-indol-3-yl)pentane-1,5-diamine?
(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine has a molecular weight of 217.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1H-indol-3-yl)pentane-1,5-diamine is sourced from PubChem (CID 171217468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).