5-(1H-indol-3-ylmethyl)-6-methylheptan-1-amine

C17H26N2 — CID 173349391

IUPAC5-(1H-indol-3-ylmethyl)-6-methylheptan-1-amine
SMILESCC(C)C(CCCCN)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H26N2/c1-13(2)14(7-5-6-10-18)11-15-12-19-17-9-4-3-8-16(15)17/h3-4,8-9,12-14,19H,5-7,10-11,18H2,1-2H3
InChIKeyAKOWEPPWFDHMRU-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.11
Rot. Bonds7

About 5-(1H-indol-3-ylmethyl)-6-methylheptan-1-amine

5-(1H-indol-3-ylmethyl)-6-methylheptan-1-amine (PubChem CID 173349391) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 5-(1H-indol-3-ylmethyl)-6-methylheptan-1-amine.

Molecular Properties

Compound Name5-(1H-indol-3-ylmethyl)-6-methylheptan-1-amine
PubChem CID173349391
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name5-(1H-indol-3-ylmethyl)-6-methylheptan-1-amine
SMILESCC(C)C(CCCCN)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H26N2/c1-13(2)14(7-5-6-10-18)11-15-12-19-17-9-4-3-8-16(15)17/h3-4,8-9,12-14,19H,5-7,10-11,18H2,1-2H3
InChIKeyAKOWEPPWFDHMRU-UHFFFAOYSA-N
XLogP4.11
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-(1H-indol-3-yl)octan-1-amine
CID 57188115
4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140726561
N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
CID 3497526
3-(2-fluoropropyl)-1H-indole
CID 142409179
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
CID 170261620
(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid
CID 21106032
6-ethyl-5-(1H-indol-3-yl)octan-1-amine
CID 173349471
4-aminobutyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 139681771
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
CID 145458418
(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine
CID 171217468

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-ylmethyl)-6-methylheptan-1-amine?
The IUPAC name of 5-(1H-indol-3-ylmethyl)-6-methylheptan-1-amine (CID 173349391) is 5-(1H-indol-3-ylmethyl)-6-methylheptan-1-amine.
What is the SMILES notation for 5-(1H-indol-3-ylmethyl)-6-methylheptan-1-amine?
The canonical SMILES for 5-(1H-indol-3-ylmethyl)-6-methylheptan-1-amine is CC(C)C(CCCCN)Cc1c[nH]c2ccccc12.
What is the InChIKey of 5-(1H-indol-3-ylmethyl)-6-methylheptan-1-amine?
The InChIKey is AKOWEPPWFDHMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(2)14(7-5-6-10-18)11-15-12-19-17-9-4-3-8-16(15)17/h3-4,8-9,12-14,19H,5-7,10-11,18H2,1-2H3.
What are the key properties of 5-(1H-indol-3-ylmethyl)-6-methylheptan-1-amine?
5-(1H-indol-3-ylmethyl)-6-methylheptan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-ylmethyl)-6-methylheptan-1-amine is sourced from PubChem (CID 173349391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).