1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine

C17H34N4 — CID 153405619

IUPAC1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine
SMILES[H]/N=C/C(C/C=C(\C)N)N1CCC(N(CCC)CCC)CC1
InChIInChI=1S/C17H34N4/c1-4-10-20(11-5-2)16-8-12-21(13-9-16)17(14-18)7-6-15(3)19/h6,14,16-18H,4-5,7-13,19H2,1-3H3/b15-6+,18-14+
InChIKeyGHLPEQXXYWSBCM-MSBMPMNRSA-N
MW294.49 g/mol
LogP2.84
Rot. Bonds9

About 1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine

1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine (PubChem CID 153405619) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine
PubChem CID153405619
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine
SMILES[H]/N=C/C(C/C=C(\C)N)N1CCC(N(CCC)CCC)CC1
InChIInChI=1S/C17H34N4/c1-4-10-20(11-5-2)16-8-12-21(13-9-16)17(14-18)7-6-15(3)19/h6,14,16-18H,4-5,7-13,19H2,1-3H3/b15-6+,18-14+
InChIKeyGHLPEQXXYWSBCM-MSBMPMNRSA-N
XLogP2.84
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide
CID 140972577
(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide
CID 140972589
5-[4-(dipropylamino)piperidin-1-yl]-2-methyl-3H-pyridin-2-amine
CID 142417088
(7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine
CID 155431783
(2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine
CID 155776254
(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine
CID 140972578
(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine
CID 140972590
(E)-2-piperidin-1-ylhex-2-ene-1,4-diimine
CID 171811235

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine?
The IUPAC name of 1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine (CID 153405619) is 1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine.
What is the SMILES notation for 1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine?
The canonical SMILES for 1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine is [H]/N=C/C(C/C=C(\C)N)N1CCC(N(CCC)CCC)CC1.
What is the InChIKey of 1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine?
The InChIKey is GHLPEQXXYWSBCM-MSBMPMNRSA-N. The full InChI is InChI=1S/C17H34N4/c1-4-10-20(11-5-2)16-8-12-21(13-9-16)17(14-18)7-6-15(3)19/h6,14,16-18H,4-5,7-13,19H2,1-3H3/b15-6+,18-14+.
What are the key properties of 1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine?
1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine has a molecular weight of 294.49 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine is sourced from PubChem (CID 153405619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).