2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine

C25H54N2 — CID 176735461

IUPAC2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine
SMILESCC(C)CC(CC(C)C)CC(CC(CN)CN)CC(CC(C)C)CC(C)C
InChIInChI=1S/C25H54N2/c1-18(2)9-22(10-19(3)4)13-24(15-25(16-26)17-27)14-23(11-20(5)6)12-21(7)8/h18-25H,9-17,26-27H2,1-8H3
InChIKeyJAZCCPZFMOUVTO-UHFFFAOYSA-N
MW382.72 g/mol
LogP6.72
Rot. Bonds16

About 2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine

2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine (PubChem CID 176735461) has the molecular formula C25H54N2 and a molecular weight of 382.72 g/mol. Its IUPAC name is 2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine
PubChem CID176735461
Molecular FormulaC25H54N2
Molecular Weight382.72 g/mol
Exact Mass382.43
IUPAC Name2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine
SMILESCC(C)CC(CC(C)C)CC(CC(CN)CN)CC(CC(C)C)CC(C)C
InChIInChI=1S/C25H54N2/c1-18(2)9-22(10-19(3)4)13-24(15-25(16-26)17-27)14-23(11-20(5)6)12-21(7)8/h18-25H,9-17,26-27H2,1-8H3
InChIKeyJAZCCPZFMOUVTO-UHFFFAOYSA-N
XLogP6.72
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.72
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine with MolForge

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Related Compounds

2-(chloromethyl)-4-methylpentan-1-amine
CID 138653523
2-(2-methylpropyl)heptan-1-amine
CID 62505521
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
2-(2-methylpropyl)decan-1-amine
CID 63498111
7-(aminomethyl)-3,9-dimethyldecan-5-one
CID 116576821
2,8-dimethyl-4,6-bis(2-methylpropyl)nonane;isocyanic acid
CID 88746453
sodium;(3S)-3-(aminomethyl)-5-methylhexanoic acid;hydride
CID 173084628
potassium;(3S)-3-(aminomethyl)-5-methylhexanoic acid;hydride
CID 172995124
2,4-diethylpentane-1,5-diamine;ethanamine
CID 162225203
N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
CID 79470505
(2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
CID 112736909
2-methylpropyl (3S)-3-(aminomethyl)-5-methylhexanoate;hydrochloride
CID 122156859

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine?
The IUPAC name of 2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine (CID 176735461) is 2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine.
What is the SMILES notation for 2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine?
The canonical SMILES for 2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine is CC(C)CC(CC(C)C)CC(CC(CN)CN)CC(CC(C)C)CC(C)C.
What is the InChIKey of 2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine?
The InChIKey is JAZCCPZFMOUVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54N2/c1-18(2)9-22(10-19(3)4)13-24(15-25(16-26)17-27)14-23(11-20(5)6)12-21(7)8/h18-25H,9-17,26-27H2,1-8H3.
What are the key properties of 2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine?
2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine has a molecular weight of 382.72 g/mol, XLogP of 6.72, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine is sourced from PubChem (CID 176735461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).