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

C13H27NO — CID 163258033

IUPACN-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCCCN(CC1CCCCOC1)C(C)C
InChIInChI=1S/C13H27NO/c1-4-8-14(12(2)3)10-13-7-5-6-9-15-11-13/h12-13H,4-11H2,1-3H3
InChIKeyAGWMYSVAIRQILN-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.92
Rot. Bonds5

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

N-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine (PubChem CID 163258033) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
PubChem CID163258033
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCCCN(CC1CCCCOC1)C(C)C
InChIInChI=1S/C13H27NO/c1-4-8-14(12(2)3)10-13-7-5-6-9-15-11-13/h12-13H,4-11H2,1-3H3
InChIKeyAGWMYSVAIRQILN-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 163259274
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
N-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine
CID 170669214
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-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 79527070
N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine
CID 66182229
N-(2-cyclopropylethyl)-N-propan-2-ylpropan-1-amine
CID 91037766
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine
CID 169307485
N-(cyclopropylmethyl)-N-propan-2-ylbutan-1-amine
CID 170060972

Frequently Asked Questions

What is the IUPAC name of N-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine (CID 163258033) is N-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine is CCCN(CC1CCCCOC1)C(C)C.
What is the InChIKey of N-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is AGWMYSVAIRQILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-8-14(12(2)3)10-13-7-5-6-9-15-11-13/h12-13H,4-11H2,1-3H3.
What are the key properties of N-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
N-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 163258033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).