N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine

C18H34N4 — CID 156711990

IUPACN-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine
SMILESC/C=C(\C=N/C(=C\CC)N1CCC(N(C)C(C)C)CC1)NC
InChIInChI=1S/C18H34N4/c1-7-9-18(20-14-16(8-2)19-5)22-12-10-17(11-13-22)21(6)15(3)4/h8-9,14-15,17,19H,7,10-13H2,1-6H3/b16-8+,18-9+,20-14-
InChIKeyZUDCQCHWJZEDRP-ZUHOJVJOSA-N
MW306.50 g/mol
LogP3.24
Rot. Bonds7

About N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine

N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine (PubChem CID 156711990) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine
PubChem CID156711990
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC NameN-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine
SMILESC/C=C(\C=N/C(=C\CC)N1CCC(N(C)C(C)C)CC1)NC
InChIInChI=1S/C18H34N4/c1-7-9-18(20-14-16(8-2)19-5)22-12-10-17(11-13-22)21(6)15(3)4/h8-9,14-15,17,19H,7,10-13H2,1-6H3/b16-8+,18-9+,20-14-
InChIKeyZUDCQCHWJZEDRP-ZUHOJVJOSA-N
XLogP3.24
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(dipropylamino)piperidin-1-yl]-2-methyl-3H-pyridin-2-amine
CID 142417088
N-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine
CID 143193243
1-[(E)-1,4-diiminobut-2-en-2-yl]-N-methylpiperidin-4-amine
CID 144349549
2-methyl-2-N-piperidin-4-yl-6-N,6-N-dipropyl-1H-pyrimidine-2,6-diamine
CID 153898683
2-methyl-2-N-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine
CID 154120127
acetaldehyde;N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine;propane
CID 156711989
1-but-3-enyl-N-[(1E)-2-methanimidoyl-3-methyl-1-(methylideneamino)buta-1,3-dienyl]piperidin-4-amine
CID 176527953

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine (CID 156711990) is N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine is C/C=C(\C=N/C(=C\CC)N1CCC(N(C)C(C)C)CC1)NC.
What is the InChIKey of N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine?
The InChIKey is ZUDCQCHWJZEDRP-ZUHOJVJOSA-N. The full InChI is InChI=1S/C18H34N4/c1-7-9-18(20-14-16(8-2)19-5)22-12-10-17(11-13-22)21(6)15(3)4/h8-9,14-15,17,19H,7,10-13H2,1-6H3/b16-8+,18-9+,20-14-.
What are the key properties of N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine?
N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine has a molecular weight of 306.50 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 156711990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).