N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine

C11H22N2O — CID 60984338

IUPACN-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCN(CC1CC1)C(CN)C1CCOC1
InChIInChI=1S/C11H22N2O/c1-13(7-9-2-3-9)11(6-12)10-4-5-14-8-10/h9-11H,2-8,12H2,1H3
InChIKeyKLCRZJJFJXXJTP-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.69
Rot. Bonds5

About N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine

N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 60984338) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID60984338
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCN(CC1CC1)C(CN)C1CCOC1
InChIInChI=1S/C11H22N2O/c1-13(7-9-2-3-9)11(6-12)10-4-5-14-8-10/h9-11H,2-8,12H2,1H3
InChIKeyKLCRZJJFJXXJTP-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 61431092
1-cyclopentyl-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 55227963
N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651578
N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61444896
N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 61377686
1-(oxolan-3-yl)-N,N-dipropylethane-1,2-diamine
CID 16792709
N-methyl-N-(2-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 63982239
N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63741818
N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386315
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
CID 79314280
N-(2-methoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
CID 63742177
N-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 112658148

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine (CID 60984338) is N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine is CN(CC1CC1)C(CN)C1CCOC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is KLCRZJJFJXXJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-13(7-9-2-3-9)11(6-12)10-4-5-14-8-10/h9-11H,2-8,12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 60984338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).