N-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine

C12H26N2O — CID 66247746

IUPACN-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine
SMILESCCCN(CC1COCC1NC)C(C)C
InChIInChI=1S/C12H26N2O/c1-5-6-14(10(2)3)7-11-8-15-9-12(11)13-4/h10-13H,5-9H2,1-4H3
InChIKeyCOHGIRISZKVAKA-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds6

About N-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine

N-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine (PubChem CID 66247746) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine
PubChem CID66247746
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine
SMILESCCCN(CC1COCC1NC)C(C)C
InChIInChI=1S/C12H26N2O/c1-5-6-14(10(2)3)7-11-8-15-9-12(11)13-4/h10-13H,5-9H2,1-4H3
InChIKeyCOHGIRISZKVAKA-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine
CID 66245583
4-[(dipropylamino)methyl]-N-methyloxolan-3-amine
CID 66267847
4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-propyloxolan-3-amine
CID 66256012
N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine
CID 64735427
N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 163259274
N-methyl-4-[(2-methylpropylamino)methyl]oxolan-3-amine
CID 66247355
4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine
CID 66255630
N-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 79565802
N-ethyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]oxan-4-amine
CID 103059669
N-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 163258033
2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62614852
4-[(dicyclopropylmethylamino)methyl]-N-methyloxolan-3-amine
CID 66247755

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine?
The IUPAC name of N-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine (CID 66247746) is N-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for N-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for N-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine is CCCN(CC1COCC1NC)C(C)C.
What is the InChIKey of N-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine?
The InChIKey is COHGIRISZKVAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-6-14(10(2)3)7-11-8-15-9-12(11)13-4/h10-13H,5-9H2,1-4H3.
What are the key properties of N-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine?
N-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66247746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).