1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine

C15H30N2O — CID 79409399

IUPAC1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
SMILESCC(CNC1CC1)C(C)N(C)CC1CCOCC1
InChIInChI=1S/C15H30N2O/c1-12(10-16-15-4-5-15)13(2)17(3)11-14-6-8-18-9-7-14/h12-16H,4-11H2,1-3H3
InChIKeyYFZGYWZAUFSKRV-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds7

About 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine

1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine (PubChem CID 79409399) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
PubChem CID79409399
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
SMILESCC(CNC1CC1)C(C)N(C)CC1CCOCC1
InChIInChI=1S/C15H30N2O/c1-12(10-16-15-4-5-15)13(2)17(3)11-14-6-8-18-9-7-14/h12-16H,4-11H2,1-3H3
InChIKeyYFZGYWZAUFSKRV-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine
CID 79408757
3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 81018894
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 63707845
1-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol
CID 63726987
N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine
CID 62530286
3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79409276
N-[(3S)-3-bromo-2-methylbutyl]oxan-4-amine
CID 147170571
1-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-2-amine
CID 104555183
N-(2-methylbutyl)oxan-4-amine
CID 43609665
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine
CID 62428340
N-(2-methylpropyl)oxan-4-amine;molecular hydrogen
CID 156813143
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 115213705

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine (CID 79409399) is 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine is CC(CNC1CC1)C(C)N(C)CC1CCOCC1.
What is the InChIKey of 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine?
The InChIKey is YFZGYWZAUFSKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(10-16-15-4-5-15)13(2)17(3)11-14-6-8-18-9-7-14/h12-16H,4-11H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine?
1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 79409399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).