N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine

C14H21N3 — CID 115195611

IUPACN'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
SMILESCC(C)(CNCCN)c1c[nH]c2ccccc12
InChIInChI=1S/C14H21N3/c1-14(2,10-16-8-7-15)12-9-17-13-6-4-3-5-11(12)13/h3-6,9,16-17H,7-8,10,15H2,1-2H3
InChIKeyBGLIVHCXIIBQGP-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.99
Rot. Bonds5

About N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine

N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine (PubChem CID 115195611) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
PubChem CID115195611
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
SMILESCC(C)(CNCCN)c1c[nH]c2ccccc12
InChIInChI=1S/C14H21N3/c1-14(2,10-16-8-7-15)12-9-17-13-6-4-3-5-11(12)13/h3-6,9,16-17H,7-8,10,15H2,1-2H3
InChIKeyBGLIVHCXIIBQGP-UHFFFAOYSA-N
XLogP1.99
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.99
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

2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol
CID 115121040
3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 115153153
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid
CID 115218163
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole
CID 113084118
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile
CID 115130659
2-(1H-indol-3-yl)propan-2-amine
CID 18668060
2-fluoro-2-(1H-indol-3-yl)propan-1-amine
CID 83853895
1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea
CID 113084112
2-(1H-indol-3-yl)-2-phenylpropan-1-amine
CID 102100966
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 113084102

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine (CID 115195611) is N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine is CC(C)(CNCCN)c1c[nH]c2ccccc12.
What is the InChIKey of N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine?
The InChIKey is BGLIVHCXIIBQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-14(2,10-16-8-7-15)12-9-17-13-6-4-3-5-11(12)13/h3-6,9,16-17H,7-8,10,15H2,1-2H3.
What are the key properties of N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine?
N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine has a molecular weight of 231.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine is sourced from PubChem (CID 115195611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).