2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine

C12H26N2O — CID 61431425

IUPAC2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
SMILESCC(C)CC(CN)N(C)CC1CCCO1
InChIInChI=1S/C12H26N2O/c1-10(2)7-11(8-13)14(3)9-12-5-4-6-15-12/h10-12H,4-9,13H2,1-3H3
InChIKeyNBLZVMHOFHZOMQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds6

About 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine

2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine (PubChem CID 61431425) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
PubChem CID61431425
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
SMILESCC(C)CC(CN)N(C)CC1CCCO1
InChIInChI=1S/C12H26N2O/c1-10(2)7-11(8-13)14(3)9-12-5-4-6-15-12/h10-12H,4-9,13H2,1-3H3
InChIKeyNBLZVMHOFHZOMQ-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
CID 61431468
4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 116504029
3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61431543
N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602
1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 55034714
2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine
CID 62881613
4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide
CID 66432458
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 22975536
1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431124
2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine
CID 61431053
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064

Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine (CID 61431425) is 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine is CC(C)CC(CN)N(C)CC1CCCO1.
What is the InChIKey of 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine?
The InChIKey is NBLZVMHOFHZOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)7-11(8-13)14(3)9-12-5-4-6-15-12/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine?
2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 61431425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).