(Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine

C12H22N4 — CID 107058743

IUPAC(Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESC/C(=C/CCNC(C)C)Cc1cn(C)nn1
InChIInChI=1S/C12H22N4/c1-10(2)13-7-5-6-11(3)8-12-9-16(4)15-14-12/h6,9-10,13H,5,7-8H2,1-4H3/b11-6-
InChIKeyLPTBVQFXHYATQC-WDZFZDKYSA-N
MW222.34 g/mol
LogP1.69
Rot. Bonds6

About (Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine

(Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine (PubChem CID 107058743) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine
PubChem CID107058743
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESC/C(=C/CCNC(C)C)Cc1cn(C)nn1
InChIInChI=1S/C12H22N4/c1-10(2)13-7-5-6-11(3)8-12-9-16(4)15-14-12/h6,9-10,13H,5,7-8H2,1-4H3/b11-6-
InChIKeyLPTBVQFXHYATQC-WDZFZDKYSA-N
XLogP1.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine
CID 79598485
4-methyl-1-(1-methyltriazol-4-yl)hexan-2-one
CID 107062841
3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one
CID 107061961
N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine
CID 79598749
4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one
CID 107061983
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine
CID 79598493
3-methyl-1-(1-methyltriazol-4-yl)but-3-en-2-one
CID 107047590
3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine
CID 146611459
5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine
CID 79598235
3-methyl-1-[4-[2-(propan-2-ylamino)ethyl]triazol-1-yl]butan-2-one
CID 167379866
3-amino-3-methyl-1-(1-methyltriazol-4-yl)butan-2-one
CID 107061890

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine?
The IUPAC name of (Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine (CID 107058743) is (Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine.
What is the SMILES notation for (Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine?
The canonical SMILES for (Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine is C/C(=C/CCNC(C)C)Cc1cn(C)nn1.
What is the InChIKey of (Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine?
The InChIKey is LPTBVQFXHYATQC-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)13-7-5-6-11(3)8-12-9-16(4)15-14-12/h6,9-10,13H,5,7-8H2,1-4H3/b11-6-.
What are the key properties of (Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine?
(Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine is sourced from PubChem (CID 107058743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).