(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine

C9H21N3 — CID 153372137

IUPAC(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine
SMILESCCNC(N)/C=C(\N)C(C)(C)C
InChIInChI=1S/C9H21N3/c1-5-12-8(11)6-7(10)9(2,3)4/h6,8,12H,5,10-11H2,1-4H3/b7-6-
InChIKeyUYOBSGLBTGFNNM-SREVYHEPSA-N
MW171.29 g/mol
LogP0.77
Rot. Bonds3

About (Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine

(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine (PubChem CID 153372137) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine.

Molecular Properties

Compound Name(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine
PubChem CID153372137
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine
SMILESCCNC(N)/C=C(\N)C(C)(C)C
InChIInChI=1S/C9H21N3/c1-5-12-8(11)6-7(10)9(2,3)4/h6,8,12H,5,10-11H2,1-4H3/b7-6-
InChIKeyUYOBSGLBTGFNNM-SREVYHEPSA-N
XLogP0.77
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;ethene;(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine
CID 153372136
(2R)-2-amino-1-(ethylamino)propan-1-ol
CID 142837227
amino(ethylamino)methanethiol
CID 5257678
N-ethyl-5-methylhex-4-en-3-amine
CID 79190287
(Z)-7-ethyl-2,2-dimethyldec-3-en-3-amine
CID 166922299
N-ethyl-3,5-dimethylhex-3-en-2-amine
CID 103093389
3-(ethylamino)butanamide
CID 18792210
2-(ethylamino)pent-4-enamide
CID 129260438
N-ethyl-2-methoxy-5-methylhex-4-en-3-amine
CID 79616583
N-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine
CID 79177314
3,3-dimethylpent-1-ene-1,2-diamine
CID 174763038
(Z)-4-amino-5,5-dimethylhex-3-en-2-one
CID 15421497

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine?
The IUPAC name of (Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine (CID 153372137) is (Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine.
What is the SMILES notation for (Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine?
The canonical SMILES for (Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine is CCNC(N)/C=C(\N)C(C)(C)C.
What is the InChIKey of (Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine?
The InChIKey is UYOBSGLBTGFNNM-SREVYHEPSA-N. The full InChI is InChI=1S/C9H21N3/c1-5-12-8(11)6-7(10)9(2,3)4/h6,8,12H,5,10-11H2,1-4H3/b7-6-.
What are the key properties of (Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine?
(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine has a molecular weight of 171.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine is sourced from PubChem (CID 153372137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).