(Z)-1-[amino(2-piperazin-1-ylethyl)amino]-4-methylpent-1-en-2-amine;ethane

C14H33N5 — CID 177010878

IUPAC(Z)-1-[amino(2-piperazin-1-ylethyl)amino]-4-methylpent-1-en-2-amine;ethane
SMILESCC.CC(C)C/C(N)=C/N(N)CCN1CCNCC1
InChIInChI=1S/C12H27N5.C2H6/c1-11(2)9-12(13)10-17(14)8-7-16-5-3-15-4-6-16;1-2/h10-11,15H,3-9,13-14H2,1-2H3;1-2H3/b12-10-;
InChIKeyNGFFSJRULLFPBC-BBJSDXRSSA-N
MW271.45 g/mol
LogP0.94
Rot. Bonds6

About (Z)-1-[amino(2-piperazin-1-ylethyl)amino]-4-methylpent-1-en-2-amine;ethane

(Z)-1-[amino(2-piperazin-1-ylethyl)amino]-4-methylpent-1-en-2-amine;ethane (PubChem CID 177010878) has the molecular formula C14H33N5 and a molecular weight of 271.45 g/mol. Its IUPAC name is (Z)-1-[amino(2-piperazin-1-ylethyl)amino]-4-methylpent-1-en-2-amine;ethane.

Molecular Properties

Compound Name(Z)-1-[amino(2-piperazin-1-ylethyl)amino]-4-methylpent-1-en-2-amine;ethane
PubChem CID177010878
Molecular FormulaC14H33N5
Molecular Weight271.45 g/mol
Exact Mass271.27
IUPAC Name(Z)-1-[amino(2-piperazin-1-ylethyl)amino]-4-methylpent-1-en-2-amine;ethane
SMILESCC.CC(C)C/C(N)=C/N(N)CCN1CCNCC1
InChIInChI=1S/C12H27N5.C2H6/c1-11(2)9-12(13)10-17(14)8-7-16-5-3-15-4-6-16;1-2/h10-11,15H,3-9,13-14H2,1-2H3;1-2H3/b12-10-;
InChIKeyNGFFSJRULLFPBC-BBJSDXRSSA-N
XLogP0.94
TPSA70.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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
2-methyl-3-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63265226
N-ethyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 60849674
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62831308
2-[methyl(2-piperazin-1-ylethyl)amino]butanamide
CID 63266206
3-[1-[amino-[(Z)-2-amino-3-(2-piperazin-1-ylethoxy)prop-1-enyl]amino]-2-methylpropan-2-yl]oxy-2,2-dimethylpropan-1-amine;ethane
CID 144886838
16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide
CID 141470628
4-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 141116403
(Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine
CID 178050447
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
methanamine;2-piperazin-1-ylethanol
CID 142253011

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(2-piperazin-1-ylethyl)amino]-4-methylpent-1-en-2-amine;ethane?
The IUPAC name of (Z)-1-[amino(2-piperazin-1-ylethyl)amino]-4-methylpent-1-en-2-amine;ethane (CID 177010878) is (Z)-1-[amino(2-piperazin-1-ylethyl)amino]-4-methylpent-1-en-2-amine;ethane.
What is the SMILES notation for (Z)-1-[amino(2-piperazin-1-ylethyl)amino]-4-methylpent-1-en-2-amine;ethane?
The canonical SMILES for (Z)-1-[amino(2-piperazin-1-ylethyl)amino]-4-methylpent-1-en-2-amine;ethane is CC.CC(C)C/C(N)=C/N(N)CCN1CCNCC1.
What is the InChIKey of (Z)-1-[amino(2-piperazin-1-ylethyl)amino]-4-methylpent-1-en-2-amine;ethane?
The InChIKey is NGFFSJRULLFPBC-BBJSDXRSSA-N. The full InChI is InChI=1S/C12H27N5.C2H6/c1-11(2)9-12(13)10-17(14)8-7-16-5-3-15-4-6-16;1-2/h10-11,15H,3-9,13-14H2,1-2H3;1-2H3/b12-10-;.
What are the key properties of (Z)-1-[amino(2-piperazin-1-ylethyl)amino]-4-methylpent-1-en-2-amine;ethane?
(Z)-1-[amino(2-piperazin-1-ylethyl)amino]-4-methylpent-1-en-2-amine;ethane has a molecular weight of 271.45 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(2-piperazin-1-ylethyl)amino]-4-methylpent-1-en-2-amine;ethane is sourced from PubChem (CID 177010878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).