1-[3-(azetidin-1-yl)-2-methylpropyl]cyclopropan-1-amine

C10H20N2 — CID 115013516

IUPAC1-[3-(azetidin-1-yl)-2-methylpropyl]cyclopropan-1-amine
SMILESCC(CN1CCC1)CC1(N)CC1
InChIInChI=1S/C10H20N2/c1-9(7-10(11)3-4-10)8-12-5-2-6-12/h9H,2-8,11H2,1H3
InChIKeyKNRHDCPLCVZVRI-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.21
Rot. Bonds4

About 1-[3-(azetidin-1-yl)-2-methylpropyl]cyclopropan-1-amine

1-[3-(azetidin-1-yl)-2-methylpropyl]cyclopropan-1-amine (PubChem CID 115013516) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-[3-(azetidin-1-yl)-2-methylpropyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(azetidin-1-yl)-2-methylpropyl]cyclopropan-1-amine
PubChem CID115013516
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-[3-(azetidin-1-yl)-2-methylpropyl]cyclopropan-1-amine
SMILESCC(CN1CCC1)CC1(N)CC1
InChIInChI=1S/C10H20N2/c1-9(7-10(11)3-4-10)8-12-5-2-6-12/h9H,2-8,11H2,1H3
InChIKeyKNRHDCPLCVZVRI-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(azetidin-1-yl)-2-methylpropyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(azetidin-1-yl)-2-methylpropyl]cyclopropan-1-amine (CID 115013516) is 1-[3-(azetidin-1-yl)-2-methylpropyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(azetidin-1-yl)-2-methylpropyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(azetidin-1-yl)-2-methylpropyl]cyclopropan-1-amine is CC(CN1CCC1)CC1(N)CC1.
What is the InChIKey of 1-[3-(azetidin-1-yl)-2-methylpropyl]cyclopropan-1-amine?
The InChIKey is KNRHDCPLCVZVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(7-10(11)3-4-10)8-12-5-2-6-12/h9H,2-8,11H2,1H3.
What are the key properties of 1-[3-(azetidin-1-yl)-2-methylpropyl]cyclopropan-1-amine?
1-[3-(azetidin-1-yl)-2-methylpropyl]cyclopropan-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azetidin-1-yl)-2-methylpropyl]cyclopropan-1-amine is sourced from PubChem (CID 115013516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).