N-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

C15H30N2O — CID 82836511

IUPACN-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)N(C)CC2CCCCC2)O1
InChIInChI=1S/C15H30N2O/c1-12-8-9-15(18-12)14(10-16)17(2)11-13-6-4-3-5-7-13/h12-15H,3-11,16H2,1-2H3
InChIKeyXESYANDWZPKNFW-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.39
Rot. Bonds5

About N-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

N-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (PubChem CID 82836511) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
PubChem CID82836511
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)N(C)CC2CCCCC2)O1
InChIInChI=1S/C15H30N2O/c1-12-8-9-15(18-12)14(10-16)17(2)11-13-6-4-3-5-7-13/h12-15H,3-11,16H2,1-2H3
InChIKeyXESYANDWZPKNFW-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651578
N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61444896
N-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835825
N-methyl-N-(2-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82836612
N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835693
N-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82836610
N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 82835297
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835107
N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835200
2-N-(cyclohexylmethyl)-2-N-methylbutane-1,2-diamine
CID 61444608
1-cyclopentyl-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 55227963
N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 82836200

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (CID 82836511) is N-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is CC1CCC(C(CN)N(C)CC2CCCCC2)O1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The InChIKey is XESYANDWZPKNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12-8-9-15(18-12)14(10-16)17(2)11-13-6-4-3-5-7-13/h12-15H,3-11,16H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
N-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82836511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).