N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C13H30N2O — CID 62844812

IUPACN-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCCCCCCNCCN(C)CCOC
InChIInChI=1S/C13H30N2O/c1-4-5-6-7-8-9-14-10-11-15(2)12-13-16-3/h14H,4-13H2,1-3H3
InChIKeyPOYQXBPTPIPGHQ-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds12

About N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 62844812) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID62844812
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCCCCCCNCCN(C)CCOC
InChIInChI=1S/C13H30N2O/c1-4-5-6-7-8-9-14-10-11-15(2)12-13-16-3/h14H,4-13H2,1-3H3
InChIKeyPOYQXBPTPIPGHQ-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81068895
N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
CID 62635532
N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752
N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725666
N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine
CID 104647419
ethane;N-(2-methoxyethyl)hexan-1-amine
CID 177359501
N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80695332
N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557407
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
CID 170176029
N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62557035
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide
CID 62843976

Frequently Asked Questions

What is the IUPAC name of N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 62844812) is N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is CCCCCCCNCCN(C)CCOC.
What is the InChIKey of N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is POYQXBPTPIPGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-4-5-6-7-8-9-14-10-11-15(2)12-13-16-3/h14H,4-13H2,1-3H3.
What are the key properties of N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62844812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).