N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine

C14H30N2O — CID 62573668

IUPACN-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCOCC(C)N(C)CCNC1CCCCCC1
InChIInChI=1S/C14H30N2O/c1-13(12-17-3)16(2)11-10-15-14-8-6-4-5-7-9-14/h13-15H,4-12H2,1-3H3
InChIKeyNLODSHAIPMHPAH-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds7

About N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine

N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 62573668) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
PubChem CID62573668
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCOCC(C)N(C)CCNC1CCCCCC1
InChIInChI=1S/C14H30N2O/c1-13(12-17-3)16(2)11-10-15-14-8-6-4-5-7-9-14/h13-15H,4-12H2,1-3H3
InChIKeyNLODSHAIPMHPAH-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634350
N-cyclopentyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60850712
N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62575849
1-N-cyclohexyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 63007613
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine
CID 62448035
N-cyclohexyl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62575118
N-cyclopentyl-N'-(1-cyclopropylethyl)-N'-methylethane-1,2-diamine
CID 60849992
N-cyclohexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 80709224
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112666260
N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112661279
N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62573665

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine (CID 62573668) is N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine is COCC(C)N(C)CCNC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is NLODSHAIPMHPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(12-17-3)16(2)11-10-15-14-8-6-4-5-7-9-14/h13-15H,4-12H2,1-3H3.
What are the key properties of N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62573668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).