N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine

C16H34N2O — CID 63705997

IUPACN-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
SMILESCCCCCC(C)NCCN(C)CC1CCCOC1
InChIInChI=1S/C16H34N2O/c1-4-5-6-8-15(2)17-10-11-18(3)13-16-9-7-12-19-14-16/h15-17H,4-14H2,1-3H3
InChIKeyYWEFEYCRLAMARX-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds10

About N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine

N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine (PubChem CID 63705997) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
PubChem CID63705997
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
SMILESCCCCCC(C)NCCN(C)CC1CCCOC1
InChIInChI=1S/C16H34N2O/c1-4-5-6-8-15(2)17-10-11-18(3)13-16-9-7-12-19-14-16/h15-17H,4-14H2,1-3H3
InChIKeyYWEFEYCRLAMARX-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
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-butyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63708148
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664
N-ethyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63727001
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine
CID 63726668
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine
CID 63705816
N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine
CID 62561272
1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine
CID 106799877
1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine
CID 63632628
N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 63657941
2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
CID 55227792
1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63913494
4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine
CID 55225870

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine (CID 63705997) is N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine is CCCCCC(C)NCCN(C)CC1CCCOC1.
What is the InChIKey of N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is YWEFEYCRLAMARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-4-5-6-8-15(2)17-10-11-18(3)13-16-9-7-12-19-14-16/h15-17H,4-14H2,1-3H3.
What are the key properties of N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine?
N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 63705997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).