N'-(7-methyloctyl)-2-propylpropane-1,3-diamine

C15H34N2 — CID 107815762

IUPACN'-(7-methyloctyl)-2-propylpropane-1,3-diamine
SMILESCCCC(CN)CNCCCCCCC(C)C
InChIInChI=1S/C15H34N2/c1-4-9-15(12-16)13-17-11-8-6-5-7-10-14(2)3/h14-15,17H,4-13,16H2,1-3H3
InChIKeyASRYQTIJUMRCED-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.56
Rot. Bonds12

About N'-(7-methyloctyl)-2-propylpropane-1,3-diamine

N'-(7-methyloctyl)-2-propylpropane-1,3-diamine (PubChem CID 107815762) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N'-(7-methyloctyl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(7-methyloctyl)-2-propylpropane-1,3-diamine
PubChem CID107815762
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN'-(7-methyloctyl)-2-propylpropane-1,3-diamine
SMILESCCCC(CN)CNCCCCCCC(C)C
InChIInChI=1S/C15H34N2/c1-4-9-15(12-16)13-17-11-8-6-5-7-10-14(2)3/h14-15,17H,4-13,16H2,1-3H3
InChIKeyASRYQTIJUMRCED-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(7-methyloctyl)pentane-1,2-diamine
CID 107815807
N'-(7-methyloctyl)-3-propylhexane-1,6-diamine
CID 107815793
1-(12-methyltridecylamino)undecan-2-ol
CID 87220932
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
1-amino-3-(5-methylhexylamino)propan-2-ol
CID 176836498
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957
ethane;6-methyl-N-propylheptan-1-amine
CID 144802351
2-(6-methylheptylamino)ethane-1,1-diol
CID 175199502
5-methyl-N,2-dipropylhexan-1-amine
CID 63497105

Frequently Asked Questions

What is the IUPAC name of N'-(7-methyloctyl)-2-propylpropane-1,3-diamine?
The IUPAC name of N'-(7-methyloctyl)-2-propylpropane-1,3-diamine (CID 107815762) is N'-(7-methyloctyl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(7-methyloctyl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N'-(7-methyloctyl)-2-propylpropane-1,3-diamine is CCCC(CN)CNCCCCCCC(C)C.
What is the InChIKey of N'-(7-methyloctyl)-2-propylpropane-1,3-diamine?
The InChIKey is ASRYQTIJUMRCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-4-9-15(12-16)13-17-11-8-6-5-7-10-14(2)3/h14-15,17H,4-13,16H2,1-3H3.
What are the key properties of N'-(7-methyloctyl)-2-propylpropane-1,3-diamine?
N'-(7-methyloctyl)-2-propylpropane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.56, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-methyloctyl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 107815762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).