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

C14H28N2O — CID 62428882

IUPAC1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine
SMILESCC(CCNC1CC1)N(C)CC1CCCCO1
InChIInChI=1S/C14H28N2O/c1-12(8-9-15-13-6-7-13)16(2)11-14-5-3-4-10-17-14/h12-15H,3-11H2,1-2H3
InChIKeyPTWUDTMUDCFOIX-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds7

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

1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine (PubChem CID 62428882) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine
PubChem CID62428882
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine
SMILESCC(CCNC1CC1)N(C)CC1CCCCO1
InChIInChI=1S/C14H28N2O/c1-12(8-9-15-13-6-7-13)16(2)11-14-5-3-4-10-17-14/h12-15H,3-11H2,1-2H3
InChIKeyPTWUDTMUDCFOIX-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine with MolForge

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Related Compounds

1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine
CID 62435890
1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 62436071
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064
2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pentane-2,4-diamine
CID 64708863
1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine
CID 63865613
N-[2-(oxan-2-yl)ethyl]cyclopropanamine
CID 62548830
1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine
CID 81074188
2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 55087661
1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol
CID 61431345
1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 55034714
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
2-methyl-2-(methylamino)-4-[methyl(oxan-2-ylmethyl)amino]pentanamide
CID 64711413

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine (CID 62428882) is 1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine is CC(CCNC1CC1)N(C)CC1CCCCO1.
What is the InChIKey of 1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine?
The InChIKey is PTWUDTMUDCFOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(8-9-15-13-6-7-13)16(2)11-14-5-3-4-10-17-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine?
1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 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-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 62428882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).