N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine

C15H33N3O — CID 65078580

IUPACN'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine
SMILESCCCN1CCCC(NCCN(C)CCOC)CC1
InChIInChI=1S/C15H33N3O/c1-4-9-18-10-5-6-15(7-11-18)16-8-12-17(2)13-14-19-3/h15-16H,4-14H2,1-3H3
InChIKeyKPXJWWAGPASPNX-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.42
Rot. Bonds9

About N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine (PubChem CID 65078580) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine
PubChem CID65078580
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine
SMILESCCCN1CCCC(NCCN(C)CCOC)CC1
InChIInChI=1S/C15H33N3O/c1-4-9-18-10-5-6-15(7-11-18)16-8-12-17(2)13-14-19-3/h15-16H,4-14H2,1-3H3
InChIKeyKPXJWWAGPASPNX-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-propan-2-yl-N-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65078082
N-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine
CID 137396264
N-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208971
N-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65083762
N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208755
2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine
CID 65073378
N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine
CID 65078398
N-methyl-1-propylazepan-4-amine
CID 65072873
N-(2-methoxypropyl)-1-propylazepan-4-amine
CID 102696547
N-(2-cyclohexyloxyethyl)-1-propylpiperidin-4-amine
CID 63826760
4-[(1-propylazepan-4-yl)amino]butanoic acid
CID 65073653
N-(2-phenylethyl)-1-propylazepan-4-amine
CID 65072843

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine (CID 65078580) is N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine is CCCN1CCCC(NCCN(C)CCOC)CC1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine?
The InChIKey is KPXJWWAGPASPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-4-9-18-10-5-6-15(7-11-18)16-8-12-17(2)13-14-19-3/h15-16H,4-14H2,1-3H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine has a molecular weight of 271.45 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 65078580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).