(Z,4S)-4-pyrrolidin-1-ylhex-2-en-3-amine

C10H20N2 — CID 156896296

IUPAC(Z,4S)-4-pyrrolidin-1-ylhex-2-en-3-amine
SMILESC/C=C(\N)[C@H](CC)N1CCCC1
InChIInChI=1S/C10H20N2/c1-3-9(11)10(4-2)12-7-5-6-8-12/h3,10H,4-8,11H2,1-2H3/b9-3-/t10-/m0/s1
InChIKeyBWJXZKUEWDILCL-BNFOFFDWSA-N
MW168.28 g/mol
LogP1.72
Rot. Bonds3

About (Z,4S)-4-pyrrolidin-1-ylhex-2-en-3-amine

(Z,4S)-4-pyrrolidin-1-ylhex-2-en-3-amine (PubChem CID 156896296) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z,4S)-4-pyrrolidin-1-ylhex-2-en-3-amine.

Molecular Properties

Compound Name(Z,4S)-4-pyrrolidin-1-ylhex-2-en-3-amine
PubChem CID156896296
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(Z,4S)-4-pyrrolidin-1-ylhex-2-en-3-amine
SMILESC/C=C(\N)[C@H](CC)N1CCCC1
InChIInChI=1S/C10H20N2/c1-3-9(11)10(4-2)12-7-5-6-8-12/h3,10H,4-8,11H2,1-2H3/b9-3-/t10-/m0/s1
InChIKeyBWJXZKUEWDILCL-BNFOFFDWSA-N
XLogP1.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-pyrrolidin-1-ylbutanimidamide
CID 156896295
2-(azocan-1-yl)butanoic acid
CID 43808973
2-(8-azaspiro[4.5]decan-8-yl)butanamide
CID 63159383
2-[4-(1-amino-1-oxobutan-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 62901402
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]butanamide
CID 63341754
2-(3-azaspiro[5.5]undecan-3-yl)butanamide
CID 62921660
N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide
CID 76915824
diethyl (2S)-2-pyrrolidin-1-ylbutanedioate
CID 7060753
2-(3-hydroxy-3-methylpiperidin-1-yl)butanamide
CID 115874209
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-1-ylbutanamide;formic acid
CID 154906804
(2R)-2-(4-tert-butylpiperazin-1-yl)butanamide
CID 157427714
ethyl (2R)-2-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]butanoate
CID 124776571

Frequently Asked Questions

What is the IUPAC name of (Z,4S)-4-pyrrolidin-1-ylhex-2-en-3-amine?
The IUPAC name of (Z,4S)-4-pyrrolidin-1-ylhex-2-en-3-amine (CID 156896296) is (Z,4S)-4-pyrrolidin-1-ylhex-2-en-3-amine.
What is the SMILES notation for (Z,4S)-4-pyrrolidin-1-ylhex-2-en-3-amine?
The canonical SMILES for (Z,4S)-4-pyrrolidin-1-ylhex-2-en-3-amine is C/C=C(\N)[C@H](CC)N1CCCC1.
What is the InChIKey of (Z,4S)-4-pyrrolidin-1-ylhex-2-en-3-amine?
The InChIKey is BWJXZKUEWDILCL-BNFOFFDWSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-9(11)10(4-2)12-7-5-6-8-12/h3,10H,4-8,11H2,1-2H3/b9-3-/t10-/m0/s1.
What are the key properties of (Z,4S)-4-pyrrolidin-1-ylhex-2-en-3-amine?
(Z,4S)-4-pyrrolidin-1-ylhex-2-en-3-amine has a molecular weight of 168.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-4-pyrrolidin-1-ylhex-2-en-3-amine is sourced from PubChem (CID 156896296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).