(3S)-1-propan-2-yl-N-prop-1-en-2-ylpiperidin-3-amine

C11H22N2 — CID 171658172

IUPAC(3S)-1-propan-2-yl-N-prop-1-en-2-ylpiperidin-3-amine
SMILESC=C(C)N[C@H]1CCCN(C(C)C)C1
InChIInChI=1S/C11H22N2/c1-9(2)12-11-6-5-7-13(8-11)10(3)4/h10-12H,1,5-8H2,2-4H3/t11-/m0/s1
InChIKeyZTGSNBTZJIYBHD-NSHDSACASA-N
MW182.31 g/mol
LogP1.98
Rot. Bonds3

About (3S)-1-propan-2-yl-N-prop-1-en-2-ylpiperidin-3-amine

(3S)-1-propan-2-yl-N-prop-1-en-2-ylpiperidin-3-amine (PubChem CID 171658172) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (3S)-1-propan-2-yl-N-prop-1-en-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-propan-2-yl-N-prop-1-en-2-ylpiperidin-3-amine
PubChem CID171658172
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(3S)-1-propan-2-yl-N-prop-1-en-2-ylpiperidin-3-amine
SMILESC=C(C)N[C@H]1CCCN(C(C)C)C1
InChIInChI=1S/C11H22N2/c1-9(2)12-11-6-5-7-13(8-11)10(3)4/h10-12H,1,5-8H2,2-4H3/t11-/m0/s1
InChIKeyZTGSNBTZJIYBHD-NSHDSACASA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-propan-2-yl-N-prop-1-en-2-ylpiperidin-3-amine?
The IUPAC name of (3S)-1-propan-2-yl-N-prop-1-en-2-ylpiperidin-3-amine (CID 171658172) is (3S)-1-propan-2-yl-N-prop-1-en-2-ylpiperidin-3-amine.
What is the SMILES notation for (3S)-1-propan-2-yl-N-prop-1-en-2-ylpiperidin-3-amine?
The canonical SMILES for (3S)-1-propan-2-yl-N-prop-1-en-2-ylpiperidin-3-amine is C=C(C)N[C@H]1CCCN(C(C)C)C1.
What is the InChIKey of (3S)-1-propan-2-yl-N-prop-1-en-2-ylpiperidin-3-amine?
The InChIKey is ZTGSNBTZJIYBHD-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)12-11-6-5-7-13(8-11)10(3)4/h10-12H,1,5-8H2,2-4H3/t11-/m0/s1.
What are the key properties of (3S)-1-propan-2-yl-N-prop-1-en-2-ylpiperidin-3-amine?
(3S)-1-propan-2-yl-N-prop-1-en-2-ylpiperidin-3-amine has a molecular weight of 182.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-propan-2-yl-N-prop-1-en-2-ylpiperidin-3-amine is sourced from PubChem (CID 171658172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).