N-propan-2-yloxetan-3-amine

C6H13NO — CID 53393300

IUPACN-propan-2-yloxetan-3-amine
SMILESCC(C)NC1COC1
InChIInChI=1S/C6H13NO/c1-5(2)7-6-3-8-4-6/h5-7H,3-4H2,1-2H3
InChIKeyXESAXGZAVQQNBN-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.38
Rot. Bonds2

About N-propan-2-yloxetan-3-amine

N-propan-2-yloxetan-3-amine (PubChem CID 53393300) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-propan-2-yloxetan-3-amine.

Molecular Properties

Compound NameN-propan-2-yloxetan-3-amine
PubChem CID53393300
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-propan-2-yloxetan-3-amine
SMILESCC(C)NC1COC1
InChIInChI=1S/C6H13NO/c1-5(2)7-6-3-8-4-6/h5-7H,3-4H2,1-2H3
InChIKeyXESAXGZAVQQNBN-UHFFFAOYSA-N
XLogP0.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclohexylethyl]oxetan-3-amine
CID 81388066
1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine
CID 101492125
(3S,4S)-4-(propan-2-ylamino)oxolan-3-ol
CID 93383484
N-propan-2-ylcycloheptanamine
CID 42562651
N-hex-5-en-2-yloxetan-3-amine
CID 104655767
3-methyl-N-propan-2-yloxan-4-amine
CID 71633062
N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine
CID 81352324
N-[(1R)-1-(furan-2-yl)ethyl]oxetan-3-amine
CID 81403066
7-methyl-N-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine
CID 174360435
N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine
CID 81373882
1-methyl-N-propan-2-ylazetidin-3-amine
CID 129045420
3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
CID 21034318

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yloxetan-3-amine?
The IUPAC name of N-propan-2-yloxetan-3-amine (CID 53393300) is N-propan-2-yloxetan-3-amine.
What is the SMILES notation for N-propan-2-yloxetan-3-amine?
The canonical SMILES for N-propan-2-yloxetan-3-amine is CC(C)NC1COC1.
What is the InChIKey of N-propan-2-yloxetan-3-amine?
The InChIKey is XESAXGZAVQQNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)7-6-3-8-4-6/h5-7H,3-4H2,1-2H3.
What are the key properties of N-propan-2-yloxetan-3-amine?
N-propan-2-yloxetan-3-amine has a molecular weight of 115.18 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxetan-3-amine is sourced from PubChem (CID 53393300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).