3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine

C12H26N2O — CID 82734873

IUPAC3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine
SMILESCCCC(N)C(CC)N(C)C1CCOC1
InChIInChI=1S/C12H26N2O/c1-4-6-11(13)12(5-2)14(3)10-7-8-15-9-10/h10-12H,4-9,13H2,1-3H3
InChIKeyFFHNFSNQVYSZDD-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds6

About 3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine

3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine (PubChem CID 82734873) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine
PubChem CID82734873
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine
SMILESCCCC(N)C(CC)N(C)C1CCOC1
InChIInChI=1S/C12H26N2O/c1-4-6-11(13)12(5-2)14(3)10-7-8-15-9-10/h10-12H,4-9,13H2,1-3H3
InChIKeyFFHNFSNQVYSZDD-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methoxyethyl)(methyl)((pyrrolidin-2-yl)methyl)amine
CID 50989303
(((2S,4S)-4-methoxypyrrolidin-2-yl)methyl)dimethylamine
CID 93629690
{[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl}(methyl)amine
CID 121552283
1,1,1-trifluoro-2-N-methyl-2-N-(oxolan-3-yl)pentane-2,3-diamine
CID 82733134
(3R,4S)-4-fluoro-N-heptyloxolan-3-amine
CID 126847897
(3R,4S)-4-fluoro-N-(heptan-2-yl)oxolan-3-amine
CID 126847898
(4-Propan-2-yloxypyrrolidin-2-yl)methanamine
CID 17920485
[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanamine
CID 28397728
[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methanamine
CID 28397730
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine
CID 43180040
[1-(2-Methoxyethyl)pyrrolidin-2-yl]methanamine
CID 43187013
1-[(2S)-1-ethyl-4-methoxypyrrolidin-2-yl]-N-methylmethanamine
CID 53635696

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine?
The IUPAC name of 3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine (CID 82734873) is 3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine?
The canonical SMILES for 3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine is CCCC(N)C(CC)N(C)C1CCOC1.
What is the InChIKey of 3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine?
The InChIKey is FFHNFSNQVYSZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-6-11(13)12(5-2)14(3)10-7-8-15-9-10/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine?
3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine is sourced from PubChem (CID 82734873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).