N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine

C13H26N2O — CID 62386127

IUPACN-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine
SMILESCCCN(C1CC1)C(CN)C1CCOCC1
InChIInChI=1S/C13H26N2O/c1-2-7-15(12-3-4-12)13(10-14)11-5-8-16-9-6-11/h11-13H,2-10,14H2,1H3
InChIKeyZPLIIVCNEULPKC-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds6

About N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine

N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine (PubChem CID 62386127) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine
PubChem CID62386127
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine
SMILESCCCN(C1CC1)C(CN)C1CCOCC1
InChIInChI=1S/C13H26N2O/c1-2-7-15(12-3-4-12)13(10-14)11-5-8-16-9-6-11/h11-13H,2-10,14H2,1H3
InChIKeyZPLIIVCNEULPKC-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62384670
N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386855
1-(oxolan-3-yl)-N,N-dipropylethane-1,2-diamine
CID 16792709
N-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62385415
N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386315
N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386119
N-butyl-1-(oxan-4-yl)-N-phenylethane-1,2-diamine
CID 64585381
N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine
CID 116904749
1-cyclopropyl-N-ethyl-N-propylethane-1,2-diamine
CID 43655040
2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 65228049
N-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62384515
N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine
CID 104744694

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine (CID 62386127) is N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine is CCCN(C1CC1)C(CN)C1CCOCC1.
What is the InChIKey of N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine?
The InChIKey is ZPLIIVCNEULPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-7-15(12-3-4-12)13(10-14)11-5-8-16-9-6-11/h11-13H,2-10,14H2,1H3.
What are the key properties of N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine?
N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 62386127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).