2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine

C15H23N3 — CID 116934490

IUPAC2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
SMILESCc1[nH]c2ccccc2c1C(N)C(C)(C)CCN
InChIInChI=1S/C15H23N3/c1-10-13(14(17)15(2,3)8-9-16)11-6-4-5-7-12(11)18-10/h4-7,14,18H,8-9,16-17H2,1-3H3
InChIKeyBBTYZQGPEFCANV-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.85
Rot. Bonds4

About 2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine

2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine (PubChem CID 116934490) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
PubChem CID116934490
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
SMILESCc1[nH]c2ccccc2c1C(N)C(C)(C)CCN
InChIInChI=1S/C15H23N3/c1-10-13(14(17)15(2,3)8-9-16)11-6-4-5-7-12(11)18-10/h4-7,14,18H,8-9,16-17H2,1-3H3
InChIKeyBBTYZQGPEFCANV-UHFFFAOYSA-N
XLogP2.85
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 131384165
(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine
CID 95447779
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
(1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171312424
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171226427
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171206848
N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 116934901
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865
4-amino-2,2-dimethyl-4-(2-methyl-1H-indol-3-yl)butanoic acid
CID 116938506
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine?
The IUPAC name of 2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine (CID 116934490) is 2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine.
What is the SMILES notation for 2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine?
The canonical SMILES for 2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine is Cc1[nH]c2ccccc2c1C(N)C(C)(C)CCN.
What is the InChIKey of 2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine?
The InChIKey is BBTYZQGPEFCANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-10-13(14(17)15(2,3)8-9-16)11-6-4-5-7-12(11)18-10/h4-7,14,18H,8-9,16-17H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine?
2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine is sourced from PubChem (CID 116934490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).