1-tert-butyl-N-propan-2-ylazetidin-3-amine

C10H22N2 — CID 130287809

IUPAC1-tert-butyl-N-propan-2-ylazetidin-3-amine
SMILESCC(C)NC1CN(C(C)(C)C)C1
InChIInChI=1S/C10H22N2/c1-8(2)11-9-6-12(7-9)10(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyCAEIYBZDXUVUEI-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.47
Rot. Bonds2

About 1-tert-butyl-N-propan-2-ylazetidin-3-amine

1-tert-butyl-N-propan-2-ylazetidin-3-amine (PubChem CID 130287809) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-tert-butyl-N-propan-2-ylazetidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-N-propan-2-ylazetidin-3-amine
PubChem CID130287809
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-tert-butyl-N-propan-2-ylazetidin-3-amine
SMILESCC(C)NC1CN(C(C)(C)C)C1
InChIInChI=1S/C10H22N2/c1-8(2)11-9-6-12(7-9)10(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyCAEIYBZDXUVUEI-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-propan-2-ylazetidin-3-amine
CID 129045420
1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine
CID 89335604
N-propan-2-ylcycloheptanamine
CID 42562651
1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine
CID 101492125
1-methylsulfonyl-N-propan-2-ylazetidin-3-amine
CID 130416289
N-(1-tert-butylazetidin-3-yl)acetamide
CID 58877828
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201
N-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine
CID 167000939
4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine
CID 58707400
2-tert-butyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 154651567
(3R,5S)-1-tert-butylpiperidine-3,4,5-triol
CID 172518129
N-[3-(propan-2-ylamino)azetidin-1-yl]acetamide
CID 164713767

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-propan-2-ylazetidin-3-amine?
The IUPAC name of 1-tert-butyl-N-propan-2-ylazetidin-3-amine (CID 130287809) is 1-tert-butyl-N-propan-2-ylazetidin-3-amine.
What is the SMILES notation for 1-tert-butyl-N-propan-2-ylazetidin-3-amine?
The canonical SMILES for 1-tert-butyl-N-propan-2-ylazetidin-3-amine is CC(C)NC1CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N-propan-2-ylazetidin-3-amine?
The InChIKey is CAEIYBZDXUVUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(2)11-9-6-12(7-9)10(3,4)5/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 1-tert-butyl-N-propan-2-ylazetidin-3-amine?
1-tert-butyl-N-propan-2-ylazetidin-3-amine has a molecular weight of 170.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-propan-2-ylazetidin-3-amine is sourced from PubChem (CID 130287809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).