2-N-methyl-2-N-(2-methyloxolan-3-yl)-4-propylcyclohexane-1,2-diamine

C15H30N2O — CID 82734835

IUPAC2-N-methyl-2-N-(2-methyloxolan-3-yl)-4-propylcyclohexane-1,2-diamine
SMILESCCCC1CCC(N)C(N(C)C2CCOC2C)C1
InChIInChI=1S/C15H30N2O/c1-4-5-12-6-7-13(16)15(10-12)17(3)14-8-9-18-11(14)2/h11-15H,4-10,16H2,1-3H3
InChIKeyLDQMAFQNRNTPIO-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.39
Rot. Bonds4

About 2-N-methyl-2-N-(2-methyloxolan-3-yl)-4-propylcyclohexane-1,2-diamine

2-N-methyl-2-N-(2-methyloxolan-3-yl)-4-propylcyclohexane-1,2-diamine (PubChem CID 82734835) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methyloxolan-3-yl)-4-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methyloxolan-3-yl)-4-propylcyclohexane-1,2-diamine
PubChem CID82734835
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-N-methyl-2-N-(2-methyloxolan-3-yl)-4-propylcyclohexane-1,2-diamine
SMILESCCCC1CCC(N)C(N(C)C2CCOC2C)C1
InChIInChI=1S/C15H30N2O/c1-4-5-12-6-7-13(16)15(10-12)17(3)14-8-9-18-11(14)2/h11-15H,4-10,16H2,1-3H3
InChIKeyLDQMAFQNRNTPIO-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[(2-amino-5-propylcyclohexyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82743288
N-[(3-aminocyclopentyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82739993
2-N-propan-2-yl-2-N,4-dipropylcyclohexane-1,2-diamine
CID 54932445
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine
CID 63233108
2-N-ethyl-2-N-(2-methoxyethyl)-4-propylcyclohexane-1,2-diamine
CID 61448059
2-[[methyl-(2-methylcyclohexyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 63493740
2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine
CID 61431166
2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexan-1-amine
CID 54932872
N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine
CID 103563096
(3-propylcyclopentyl)methanamine
CID 83635339
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine
CID 114763514

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methyloxolan-3-yl)-4-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methyloxolan-3-yl)-4-propylcyclohexane-1,2-diamine (CID 82734835) is 2-N-methyl-2-N-(2-methyloxolan-3-yl)-4-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methyloxolan-3-yl)-4-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methyloxolan-3-yl)-4-propylcyclohexane-1,2-diamine is CCCC1CCC(N)C(N(C)C2CCOC2C)C1.
What is the InChIKey of 2-N-methyl-2-N-(2-methyloxolan-3-yl)-4-propylcyclohexane-1,2-diamine?
The InChIKey is LDQMAFQNRNTPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-5-12-6-7-13(16)15(10-12)17(3)14-8-9-18-11(14)2/h11-15H,4-10,16H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-(2-methyloxolan-3-yl)-4-propylcyclohexane-1,2-diamine?
2-N-methyl-2-N-(2-methyloxolan-3-yl)-4-propylcyclohexane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methyloxolan-3-yl)-4-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 82734835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).