N'-(7-methyloctyl)-3-propylhexane-1,6-diamine

C18H40N2 — CID 107815793

IUPACN'-(7-methyloctyl)-3-propylhexane-1,6-diamine
SMILESCCCC(CCN)CCCNCCCCCCC(C)C
InChIInChI=1S/C18H40N2/c1-4-10-18(13-14-19)12-9-16-20-15-8-6-5-7-11-17(2)3/h17-18,20H,4-16,19H2,1-3H3
InChIKeySWRLEAJIBNVFSF-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.73
Rot. Bonds15

About N'-(7-methyloctyl)-3-propylhexane-1,6-diamine

N'-(7-methyloctyl)-3-propylhexane-1,6-diamine (PubChem CID 107815793) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is N'-(7-methyloctyl)-3-propylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-(7-methyloctyl)-3-propylhexane-1,6-diamine
PubChem CID107815793
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC NameN'-(7-methyloctyl)-3-propylhexane-1,6-diamine
SMILESCCCC(CCN)CCCNCCCCCCC(C)C
InChIInChI=1S/C18H40N2/c1-4-10-18(13-14-19)12-9-16-20-15-8-6-5-7-11-17(2)3/h17-18,20H,4-16,19H2,1-3H3
InChIKeySWRLEAJIBNVFSF-UHFFFAOYSA-N
XLogP4.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.73
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

3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine
CID 107815689
N'-(7-methyloctyl)-2-propylpropane-1,3-diamine
CID 107815762
3-ethyl-N'-octylhexane-1,6-diamine
CID 113337396
N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine
CID 154328123
5-[4-(tridecylamino)butyl]undecane-1,11-diamine
CID 139942223
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
3-propyl-N'-(4,4,4-trifluorobutyl)hexane-1,6-diamine
CID 115520156
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

Frequently Asked Questions

What is the IUPAC name of N'-(7-methyloctyl)-3-propylhexane-1,6-diamine?
The IUPAC name of N'-(7-methyloctyl)-3-propylhexane-1,6-diamine (CID 107815793) is N'-(7-methyloctyl)-3-propylhexane-1,6-diamine.
What is the SMILES notation for N'-(7-methyloctyl)-3-propylhexane-1,6-diamine?
The canonical SMILES for N'-(7-methyloctyl)-3-propylhexane-1,6-diamine is CCCC(CCN)CCCNCCCCCCC(C)C.
What is the InChIKey of N'-(7-methyloctyl)-3-propylhexane-1,6-diamine?
The InChIKey is SWRLEAJIBNVFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-4-10-18(13-14-19)12-9-16-20-15-8-6-5-7-11-17(2)3/h17-18,20H,4-16,19H2,1-3H3.
What are the key properties of N'-(7-methyloctyl)-3-propylhexane-1,6-diamine?
N'-(7-methyloctyl)-3-propylhexane-1,6-diamine has a molecular weight of 284.53 g/mol, XLogP of 4.73, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-methyloctyl)-3-propylhexane-1,6-diamine is sourced from PubChem (CID 107815793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).