1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine

C14H28N2O — CID 55034714

IUPAC1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCCCO1)C(CN)C1CCCC1
InChIInChI=1S/C14H28N2O/c1-16(11-13-8-4-5-9-17-13)14(10-15)12-6-2-3-7-12/h12-14H,2-11,15H2,1H3
InChIKeyXQFVPFZMYWFUKY-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds5

About 1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine

1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 55034714) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
PubChem CID55034714
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCCCO1)C(CN)C1CCCC1
InChIInChI=1S/C14H28N2O/c1-16(11-13-8-4-5-9-17-13)14(10-15)12-6-2-3-7-12/h12-14H,2-11,15H2,1H3
InChIKeyXQFVPFZMYWFUKY-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
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
1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 116653050
N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651578
N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61444896
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064
2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
CID 61431425
1-cyclopentyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745209
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61431543
1-cyclohexyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745207
1-cyclopentyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63233100

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine (CID 55034714) is 1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine is CN(CC1CCCCO1)C(CN)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is XQFVPFZMYWFUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-16(11-13-8-4-5-9-17-13)14(10-15)12-6-2-3-7-12/h12-14H,2-11,15H2,1H3.
What are the key properties of 1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine?
1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 55034714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).