1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine

C12H28N4 — CID 62361802

IUPAC1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine
SMILESCCC/N=C(\N)NC(CC(C)C)CN(C)C
InChIInChI=1S/C12H28N4/c1-6-7-14-12(13)15-11(8-10(2)3)9-16(4)5/h10-11H,6-9H2,1-5H3,(H3,13,14,15)
InChIKeyOURHJKZXQOGOTJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.28
Rot. Bonds7

About 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine

1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine (PubChem CID 62361802) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine.

Molecular Properties

Compound Name1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine
PubChem CID62361802
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine
SMILESCCC/N=C(\N)NC(CC(C)C)CN(C)C
InChIInChI=1S/C12H28N4/c1-6-7-14-12(13)15-11(8-10(2)3)9-16(4)5/h10-11H,6-9H2,1-5H3,(H3,13,14,15)
InChIKeyOURHJKZXQOGOTJ-UHFFFAOYSA-N
XLogP1.28
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.28
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'}

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Related Compounds

[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 61059405
N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide
CID 103111146
1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine
CID 103189428
1-(4-hydroxybutan-2-yl)-2-propylguanidine
CID 83177933
1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-ethylthiourea
CID 115587616
1-but-3-yn-2-yl-2-propylguanidine
CID 114393547
3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride
CID 120503128
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
1-(4-hydroxy-1-methoxybutan-2-yl)-2-propylguanidine
CID 106162005
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111041738
3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 43695730

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine?
The IUPAC name of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine (CID 62361802) is 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine.
What is the SMILES notation for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine?
The canonical SMILES for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine is CCC/N=C(\N)NC(CC(C)C)CN(C)C.
What is the InChIKey of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine?
The InChIKey is OURHJKZXQOGOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-6-7-14-12(13)15-11(8-10(2)3)9-16(4)5/h10-11H,6-9H2,1-5H3,(H3,13,14,15).
What are the key properties of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine?
1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine has a molecular weight of 228.38 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine is sourced from PubChem (CID 62361802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).