N'-[(2-propan-2-yl-1H-indol-6-yl)methyl]propane-1,3-diamine

C15H23N3 — CID 59646598

IUPACN'-[(2-propan-2-yl-1H-indol-6-yl)methyl]propane-1,3-diamine
SMILESCC(C)c1cc2ccc(CNCCCN)cc2[nH]1
InChIInChI=1S/C15H23N3/c1-11(2)14-9-13-5-4-12(8-15(13)18-14)10-17-7-3-6-16/h4-5,8-9,11,17-18H,3,6-7,10,16H2,1-2H3
InChIKeyXFLWZTPSHNKHRY-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.73
Rot. Bonds6

About N'-[(2-propan-2-yl-1H-indol-6-yl)methyl]propane-1,3-diamine

N'-[(2-propan-2-yl-1H-indol-6-yl)methyl]propane-1,3-diamine (PubChem CID 59646598) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-[(2-propan-2-yl-1H-indol-6-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2-propan-2-yl-1H-indol-6-yl)methyl]propane-1,3-diamine
PubChem CID59646598
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN'-[(2-propan-2-yl-1H-indol-6-yl)methyl]propane-1,3-diamine
SMILESCC(C)c1cc2ccc(CNCCCN)cc2[nH]1
InChIInChI=1S/C15H23N3/c1-11(2)14-9-13-5-4-12(8-15(13)18-14)10-17-7-3-6-16/h4-5,8-9,11,17-18H,3,6-7,10,16H2,1-2H3
InChIKeyXFLWZTPSHNKHRY-UHFFFAOYSA-N
XLogP2.73
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.73
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

N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine
CID 59231415
N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 10106170
N'-[(2-propan-2-yl-1H-indol-4-yl)methyl]ethane-1,2-diamine
CID 59646690
N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine
CID 18353717
N'-[3-[(4-propan-2-ylphenyl)methylamino]propyl]butane-1,4-diamine
CID 58965144
5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115195337
N'-[[4-(5-aminopentyl)phenyl]methyl]propane-1,3-diamine
CID 58260406
5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole
CID 171518116
N'-[(9-propan-2-ylcarbazol-3-yl)methyl]propane-1,3-diamine
CID 175924783
N-(1H-indol-6-ylmethyl)butan-1-amine
CID 63749151
N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine
CID 60887556
N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
CID 11140144

Frequently Asked Questions

What is the IUPAC name of N'-[(2-propan-2-yl-1H-indol-6-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[(2-propan-2-yl-1H-indol-6-yl)methyl]propane-1,3-diamine (CID 59646598) is N'-[(2-propan-2-yl-1H-indol-6-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(2-propan-2-yl-1H-indol-6-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(2-propan-2-yl-1H-indol-6-yl)methyl]propane-1,3-diamine is CC(C)c1cc2ccc(CNCCCN)cc2[nH]1.
What is the InChIKey of N'-[(2-propan-2-yl-1H-indol-6-yl)methyl]propane-1,3-diamine?
The InChIKey is XFLWZTPSHNKHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11(2)14-9-13-5-4-12(8-15(13)18-14)10-17-7-3-6-16/h4-5,8-9,11,17-18H,3,6-7,10,16H2,1-2H3.
What are the key properties of N'-[(2-propan-2-yl-1H-indol-6-yl)methyl]propane-1,3-diamine?
N'-[(2-propan-2-yl-1H-indol-6-yl)methyl]propane-1,3-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-propan-2-yl-1H-indol-6-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 59646598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).