(E)-N-[[(3R)-piperidin-3-yl]methyl]pent-1-en-1-amine

C11H22N2 — CID 163659708

IUPAC(E)-N-[[(3R)-piperidin-3-yl]methyl]pent-1-en-1-amine
SMILESCCC/C=C/NC[C@@H]1CCCNC1
InChIInChI=1S/C11H22N2/c1-2-3-4-7-12-9-11-6-5-8-13-10-11/h4,7,11-13H,2-3,5-6,8-10H2,1H3/b7-4+/t11-/m0/s1
InChIKeyITILJRNSOUYLKU-ZPMKCOPCSA-N
MW182.31 g/mol
LogP1.89
Rot. Bonds5

About (E)-N-[[(3R)-piperidin-3-yl]methyl]pent-1-en-1-amine

(E)-N-[[(3R)-piperidin-3-yl]methyl]pent-1-en-1-amine (PubChem CID 163659708) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (E)-N-[[(3R)-piperidin-3-yl]methyl]pent-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-[[(3R)-piperidin-3-yl]methyl]pent-1-en-1-amine
PubChem CID163659708
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(E)-N-[[(3R)-piperidin-3-yl]methyl]pent-1-en-1-amine
SMILESCCC/C=C/NC[C@@H]1CCCNC1
InChIInChI=1S/C11H22N2/c1-2-3-4-7-12-9-11-6-5-8-13-10-11/h4,7,11-13H,2-3,5-6,8-10H2,1H3/b7-4+/t11-/m0/s1
InChIKeyITILJRNSOUYLKU-ZPMKCOPCSA-N
XLogP1.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
N-(piperidin-3-ylmethyl)pentan-2-amine
CID 80553041
(3R)-3-(2-methylhexyl)piperidine
CID 155456169
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide
CID 119463445
5-methyl-N-(piperidin-3-ylmethyl)hexan-2-amine
CID 80553387
1-(piperidin-3-ylmethylamino)butan-2-ol
CID 102551549
(2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol
CID 99962951
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
2,2,3,3-tetramethyl-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 66475790
(3S)-3-heptylpiperidine
CID 155456188
(3R)-3-[(2S)-2-methylbutyl]piperidine
CID 11744861
N-(piperidin-3-ylmethyl)cyclododecanamine
CID 83958102

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[(3R)-piperidin-3-yl]methyl]pent-1-en-1-amine?
The IUPAC name of (E)-N-[[(3R)-piperidin-3-yl]methyl]pent-1-en-1-amine (CID 163659708) is (E)-N-[[(3R)-piperidin-3-yl]methyl]pent-1-en-1-amine.
What is the SMILES notation for (E)-N-[[(3R)-piperidin-3-yl]methyl]pent-1-en-1-amine?
The canonical SMILES for (E)-N-[[(3R)-piperidin-3-yl]methyl]pent-1-en-1-amine is CCC/C=C/NC[C@@H]1CCCNC1.
What is the InChIKey of (E)-N-[[(3R)-piperidin-3-yl]methyl]pent-1-en-1-amine?
The InChIKey is ITILJRNSOUYLKU-ZPMKCOPCSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-3-4-7-12-9-11-6-5-8-13-10-11/h4,7,11-13H,2-3,5-6,8-10H2,1H3/b7-4+/t11-/m0/s1.
What are the key properties of (E)-N-[[(3R)-piperidin-3-yl]methyl]pent-1-en-1-amine?
(E)-N-[[(3R)-piperidin-3-yl]methyl]pent-1-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[(3R)-piperidin-3-yl]methyl]pent-1-en-1-amine is sourced from PubChem (CID 163659708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).