(Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine

C12H26N4 — CID 178050447

IUPAC(Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine
SMILESCCCN(N)/C=C(\N)CCN1CCCCC1
InChIInChI=1S/C12H26N4/c1-2-7-16(14)11-12(13)6-10-15-8-4-3-5-9-15/h11H,2-10,13-14H2,1H3/b12-11-
InChIKeyHSQIJELEHJDPOZ-QXMHVHEDSA-N
MW226.37 g/mol
LogP1.25
Rot. Bonds6

About (Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine

(Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine (PubChem CID 178050447) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is (Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine
PubChem CID178050447
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name(Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine
SMILESCCCN(N)/C=C(\N)CCN1CCCCC1
InChIInChI=1S/C12H26N4/c1-2-7-16(14)11-12(13)6-10-15-8-4-3-5-9-15/h11H,2-10,13-14H2,1H3/b12-11-
InChIKeyHSQIJELEHJDPOZ-QXMHVHEDSA-N
XLogP1.25
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine
CID 118569104
N,N-dipropyl-3-pyrrolidin-1-ylpropanamide
CID 110688187
methanol;1-propylpiperidine
CID 171515121
3-(azepan-1-yl)propanethioamide
CID 24698723
3-piperidin-1-yl-N-propylpropanamide
CID 110688262
N-amino-N-(2-pyrrolidin-1-ylethyl)formamide
CID 54082532
N,N-diethyl-3-piperidin-1-ylpropanamide
CID 110688324
N-methyl-3-methylidene-N-propyl-6-pyrrolidin-1-ylhexan-1-amine
CID 142283588
N,N-diethyl-2-piperidin-1-ylethanamine;ethane
CID 176694882
3-(azepan-1-yl)-N'-hydroxypropanimidamide;dihydrochloride
CID 131877680
ethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine
CID 143378461
1-propylpyrrolidine;hydrobromide
CID 173024709

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine (CID 178050447) is (Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine is CCCN(N)/C=C(\N)CCN1CCCCC1.
What is the InChIKey of (Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine?
The InChIKey is HSQIJELEHJDPOZ-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H26N4/c1-2-7-16(14)11-12(13)6-10-15-8-4-3-5-9-15/h11H,2-10,13-14H2,1H3/b12-11-.
What are the key properties of (Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine?
(Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine has a molecular weight of 226.37 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine is sourced from PubChem (CID 178050447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).