1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine

C14H28N4 — CID 110919770

IUPAC1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine
SMILESC=CCN(CC=C)C(CN/C(=N/C)NC)C(C)C
InChIInChI=1S/C14H28N4/c1-7-9-18(10-8-2)13(12(3)4)11-17-14(15-5)16-6/h7-8,12-13H,1-2,9-11H2,3-6H3,(H2,15,16,17)
InChIKeyHDTPSZHPZHQGLI-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.48
Rot. Bonds8

About 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine

1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine (PubChem CID 110919770) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine
PubChem CID110919770
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine
SMILESC=CCN(CC=C)C(CN/C(=N/C)NC)C(C)C
InChIInChI=1S/C14H28N4/c1-7-9-18(10-8-2)13(12(3)4)11-17-14(15-5)16-6/h7-8,12-13H,1-2,9-11H2,3-6H3,(H2,15,16,17)
InChIKeyHDTPSZHPZHQGLI-UHFFFAOYSA-N
XLogP1.48
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-[Bis(prop-2-enyl)amino]-3-methylbutyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471772
2-[2-[Bis(prop-2-enyl)amino]-3-methylbutyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471773
1-[2-[Bis(prop-2-enyl)amino]-3-methylbutyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472370
1-[2-[Bis(prop-2-enyl)amino]-3-methylbutyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109472371
N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine
CID 137139798
1-Butan-2-yl-2-(cyclopropylmethyl)-3-prop-2-enylguanidine
CID 56826208
5-Propan-2-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79496901
1-[(2R)-butan-2-yl]-2-(cyclopropylmethyl)-3-prop-2-enylguanidine
CID 95573147
1-[(2S)-butan-2-yl]-2-(cyclopropylmethyl)-3-prop-2-enylguanidine
CID 95573148
3-Ethyl-1-methyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-1-pent-4-enylguanidine
CID 109496057
3-[2-Cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109497218
1,2-Dimethyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-pent-4-enylguanidine
CID 109497230

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine (CID 110919770) is 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine is C=CCN(CC=C)C(CN/C(=N/C)NC)C(C)C.
What is the InChIKey of 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine?
The InChIKey is HDTPSZHPZHQGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-7-9-18(10-8-2)13(12(3)4)11-17-14(15-5)16-6/h7-8,12-13H,1-2,9-11H2,3-6H3,(H2,15,16,17).
What are the key properties of 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine?
1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine has a molecular weight of 252.41 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-2,3-dimethylguanidine is sourced from PubChem (CID 110919770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).