1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine

C12H26N2O — CID 61435818

IUPAC1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
SMILESCCCCC(N)CN(C)CC1CCCO1
InChIInChI=1S/C12H26N2O/c1-3-4-6-11(13)9-14(2)10-12-7-5-8-15-12/h11-12H,3-10,13H2,1-2H3
InChIKeyNRPRRVLXTCPFDG-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds7

About 1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine

1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine (PubChem CID 61435818) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
PubChem CID61435818
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
SMILESCCCCC(N)CN(C)CC1CCCO1
InChIInChI=1S/C12H26N2O/c1-3-4-6-11(13)9-14(2)10-12-7-5-8-15-12/h11-12H,3-10,13H2,1-2H3
InChIKeyNRPRRVLXTCPFDG-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine
CID 60984085
1-cyclopentyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745209
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 61431541
1-cyclohexyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745207
2-N-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
CID 61431468
N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
(2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
CID 103831500
N,2-dimethyl-N-(oxan-2-ylmethyl)pentane-1,5-diamine
CID 104681987
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide
CID 61431841
N'-methyl-1-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431491
1-(oxan-2-yl)nonan-3-amine
CID 115833397

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine (CID 61435818) is 1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine is CCCCC(N)CN(C)CC1CCCO1.
What is the InChIKey of 1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine?
The InChIKey is NRPRRVLXTCPFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-4-6-11(13)9-14(2)10-12-7-5-8-15-12/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine?
1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine is sourced from PubChem (CID 61435818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).