2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine

C17H29N3 — CID 62097200

IUPAC2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine
SMILESCC(C)C(CNCc1ccc2c(c1)CCN2C)N(C)C
InChIInChI=1S/C17H29N3/c1-13(2)17(19(3)4)12-18-11-14-6-7-16-15(10-14)8-9-20(16)5/h6-7,10,13,17-18H,8-9,11-12H2,1-5H3
InChIKeyHRYLTORVVSKMPO-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.35
Rot. Bonds6

About 2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine

2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine (PubChem CID 62097200) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine
PubChem CID62097200
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine
SMILESCC(C)C(CNCc1ccc2c(c1)CCN2C)N(C)C
InChIInChI=1S/C17H29N3/c1-13(2)17(19(3)4)12-18-11-14-6-7-16-15(10-14)8-9-20(16)5/h6-7,10,13,17-18H,8-9,11-12H2,1-5H3
InChIKeyHRYLTORVVSKMPO-UHFFFAOYSA-N
XLogP2.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine with MolForge

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Related Compounds

2-N,2-N-dimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propane-1,2-diamine
CID 55035111
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073
2-methyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 65031805
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904608
1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol
CID 115756799
2,2-dimethoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 62096866
3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine
CID 62097585
1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 65047506
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 62070317

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine (CID 62097200) is 2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine is CC(C)C(CNCc1ccc2c(c1)CCN2C)N(C)C.
What is the InChIKey of 2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine?
The InChIKey is HRYLTORVVSKMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(2)17(19(3)4)12-18-11-14-6-7-16-15(10-14)8-9-20(16)5/h6-7,10,13,17-18H,8-9,11-12H2,1-5H3.
What are the key properties of 2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine?
2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 62097200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).