N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine

C12H25NO — CID 163259274

IUPACN-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCCCN(CC1CCCOC1)C(C)C
InChIInChI=1S/C12H25NO/c1-4-7-13(11(2)3)9-12-6-5-8-14-10-12/h11-12H,4-10H2,1-3H3
InChIKeyZQROKQITOWWBGT-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds5

About N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine

N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine (PubChem CID 163259274) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
PubChem CID163259274
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCCCN(CC1CCCOC1)C(C)C
InChIInChI=1S/C12H25NO/c1-4-7-13(11(2)3)9-12-6-5-8-14-10-12/h11-12H,4-10H2,1-3H3
InChIKeyZQROKQITOWWBGT-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 163258033
N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79716147
N-propan-2-yl-N-(thiocan-5-ylmethyl)propan-1-amine
CID 167008688
3-[[(3S)-oxolan-3-yl]methyl-propan-2-ylamino]propanamide
CID 95136369
2-methyl-N-(oxolan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 21034317
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine
CID 66182229
N-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine
CID 170669214
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 79527070
2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine
CID 79667389
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine (CID 163259274) is N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine is CCCN(CC1CCCOC1)C(C)C.
What is the InChIKey of N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is ZQROKQITOWWBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-7-13(11(2)3)9-12-6-5-8-14-10-12/h11-12H,4-10H2,1-3H3.
What are the key properties of N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 163259274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).