(E)-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine

C11H21N5 — CID 107058729

IUPAC(E)-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
SMILESCC(C)CNCC/C=C/Cc1nnn(C)n1
InChIInChI=1S/C11H21N5/c1-10(2)9-12-8-6-4-5-7-11-13-15-16(3)14-11/h4-5,10,12H,6-9H2,1-3H3/b5-4+
InChIKeyKPICYUIJHPTYNY-SNAWJCMRSA-N
MW223.32 g/mol
LogP0.94
Rot. Bonds7

About (E)-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine

(E)-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine (PubChem CID 107058729) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is (E)-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
PubChem CID107058729
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name(E)-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
SMILESCC(C)CNCC/C=C/Cc1nnn(C)n1
InChIInChI=1S/C11H21N5/c1-10(2)9-12-8-6-4-5-7-11-13-15-16(3)14-11/h4-5,10,12H,6-9H2,1-3H3/b5-4+
InChIKeyKPICYUIJHPTYNY-SNAWJCMRSA-N
XLogP0.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

LU-25-077
CID 9820835
5-(2-Methyl-2H-tetrazol-5-yl)-1,2,3,6-tetrahydro-pyridine
CID 10352041
3-Methyl-5-(2-methyl-2H-tetrazol-5-yl)-1,2,3,6-tetrahydro-pyridine
CID 10375010
5-(2-Prop-2-enyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 58575673
5-(2-Ethyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
CID 162319052
3-Methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
CID 162333363
(E)-N-[(2-methyltetrazol-5-yl)methyl]pent-3-en-1-amine
CID 107042686
N-ethyl-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
CID 107053618
2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propylbut-3-en-1-amine
CID 107053620
2-methyl-N-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
CID 107053627
(E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
CID 107058707
(E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
CID 107058710

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine (CID 107058729) is (E)-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine is CC(C)CNCC/C=C/Cc1nnn(C)n1.
What is the InChIKey of (E)-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The InChIKey is KPICYUIJHPTYNY-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H21N5/c1-10(2)9-12-8-6-4-5-7-11-13-15-16(3)14-11/h4-5,10,12H,6-9H2,1-3H3/b5-4+.
What are the key properties of (E)-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
(E)-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine has a molecular weight of 223.32 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine is sourced from PubChem (CID 107058729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).