1-N-(7-methyloctyl)pentane-1,2-diamine

C14H32N2 — CID 107815807

IUPAC1-N-(7-methyloctyl)pentane-1,2-diamine
SMILESCCCC(N)CNCCCCCCC(C)C
InChIInChI=1S/C14H32N2/c1-4-9-14(15)12-16-11-8-6-5-7-10-13(2)3/h13-14,16H,4-12,15H2,1-3H3
InChIKeyBIZREQZOKYYGGE-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.31
Rot. Bonds11

About 1-N-(7-methyloctyl)pentane-1,2-diamine

1-N-(7-methyloctyl)pentane-1,2-diamine (PubChem CID 107815807) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N-(7-methyloctyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(7-methyloctyl)pentane-1,2-diamine
PubChem CID107815807
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N-(7-methyloctyl)pentane-1,2-diamine
SMILESCCCC(N)CNCCCCCCC(C)C
InChIInChI=1S/C14H32N2/c1-4-9-14(15)12-16-11-8-6-5-7-10-13(2)3/h13-14,16H,4-12,15H2,1-3H3
InChIKeyBIZREQZOKYYGGE-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.31
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

N'-(7-methyloctyl)-2-propylpropane-1,3-diamine
CID 107815762
(2S)-1-N-propyldecane-1,2-diamine
CID 135223941
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine
CID 107815634
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
1-N-(2-aminopentyl)pentane-1,2-diamine
CID 139611076
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
1-(12-methyltridecylamino)undecan-2-ol
CID 87220932
2-(6-methylheptylamino)ethane-1,1-diol
CID 175199502

Frequently Asked Questions

What is the IUPAC name of 1-N-(7-methyloctyl)pentane-1,2-diamine?
The IUPAC name of 1-N-(7-methyloctyl)pentane-1,2-diamine (CID 107815807) is 1-N-(7-methyloctyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-(7-methyloctyl)pentane-1,2-diamine?
The canonical SMILES for 1-N-(7-methyloctyl)pentane-1,2-diamine is CCCC(N)CNCCCCCCC(C)C.
What is the InChIKey of 1-N-(7-methyloctyl)pentane-1,2-diamine?
The InChIKey is BIZREQZOKYYGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-4-9-14(15)12-16-11-8-6-5-7-10-13(2)3/h13-14,16H,4-12,15H2,1-3H3.
What are the key properties of 1-N-(7-methyloctyl)pentane-1,2-diamine?
1-N-(7-methyloctyl)pentane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.31, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(7-methyloctyl)pentane-1,2-diamine is sourced from PubChem (CID 107815807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).