N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine

C15H32N2O — CID 62429589

IUPACN'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine
SMILESCC(C)CNCCCCN(C)CC1CCCCO1
InChIInChI=1S/C15H32N2O/c1-14(2)12-16-9-5-6-10-17(3)13-15-8-4-7-11-18-15/h14-16H,4-13H2,1-3H3
InChIKeyVGZSVIQQGQSHGR-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds9

About N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine

N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine (PubChem CID 62429589) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine
PubChem CID62429589
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine
SMILESCC(C)CNCCCCN(C)CC1CCCCO1
InChIInChI=1S/C15H32N2O/c1-14(2)12-16-9-5-6-10-17(3)13-15-8-4-7-11-18-15/h14-16H,4-13H2,1-3H3
InChIKeyVGZSVIQQGQSHGR-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 61436273
N'-methyl-N'-(oxolan-2-ylmethyl)-N-propylbutane-1,4-diamine
CID 62435535
N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62854578
N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
CID 63706666
N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62430661
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62443749
6-[methyl(oxan-2-ylmethyl)amino]hexan-1-ol
CID 103737833
N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine
CID 62555308
N-(1-cyclopropylethyl)-N'-methyl-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 62554352
N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191
N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide
CID 97061252

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine?
The IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine (CID 62429589) is N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine is CC(C)CNCCCCN(C)CC1CCCCO1.
What is the InChIKey of N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine?
The InChIKey is VGZSVIQQGQSHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-14(2)12-16-9-5-6-10-17(3)13-15-8-4-7-11-18-15/h14-16H,4-13H2,1-3H3.
What are the key properties of N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine?
N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 62429589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).