1-amino-3-heptan-2-yl-2-propylguanidine

C11H26N4 — CID 104885589

IUPAC1-amino-3-heptan-2-yl-2-propylguanidine
SMILESCCCCCC(C)N/C(=N/CCC)NN
InChIInChI=1S/C11H26N4/c1-4-6-7-8-10(3)14-11(15-12)13-9-5-2/h10H,4-9,12H2,1-3H3,(H2,13,14,15)
InChIKeyNWPFYTMSKKIYOU-UHFFFAOYSA-N
MW214.36 g/mol
LogP1.77
Rot. Bonds7

About 1-amino-3-heptan-2-yl-2-propylguanidine

1-amino-3-heptan-2-yl-2-propylguanidine (PubChem CID 104885589) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 1-amino-3-heptan-2-yl-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-heptan-2-yl-2-propylguanidine
PubChem CID104885589
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name1-amino-3-heptan-2-yl-2-propylguanidine
SMILESCCCCCC(C)N/C(=N/CCC)NN
InChIInChI=1S/C11H26N4/c1-4-6-7-8-10(3)14-11(15-12)13-9-5-2/h10H,4-9,12H2,1-3H3,(H2,13,14,15)
InChIKeyNWPFYTMSKKIYOU-UHFFFAOYSA-N
XLogP1.77
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine
CID 104885244
1-amino-2-butyl-3-(4-methoxybutan-2-yl)guanidine
CID 104887008
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine
CID 104886206
1-amino-3-octan-2-ylthiourea
CID 61480356
1-ethyl-3-heptan-2-yl-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111195219
1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine
CID 116515035
1-amino-3-hexyl-2-propylguanidine
CID 104886641
1-amino-3-[1-(4-fluorophenyl)propan-2-yl]-2-propylguanidine
CID 116515009
2-methyl-1-octan-2-yl-3-propylguanidine
CID 111212541
1-amino-3-butyl-2-(7-methyloctyl)guanidine
CID 114004522
N-amino-N'-propyldecanimidamide
CID 65427177

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-heptan-2-yl-2-propylguanidine?
The IUPAC name of 1-amino-3-heptan-2-yl-2-propylguanidine (CID 104885589) is 1-amino-3-heptan-2-yl-2-propylguanidine.
What is the SMILES notation for 1-amino-3-heptan-2-yl-2-propylguanidine?
The canonical SMILES for 1-amino-3-heptan-2-yl-2-propylguanidine is CCCCCC(C)N/C(=N/CCC)NN.
What is the InChIKey of 1-amino-3-heptan-2-yl-2-propylguanidine?
The InChIKey is NWPFYTMSKKIYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-4-6-7-8-10(3)14-11(15-12)13-9-5-2/h10H,4-9,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-amino-3-heptan-2-yl-2-propylguanidine?
1-amino-3-heptan-2-yl-2-propylguanidine has a molecular weight of 214.36 g/mol, XLogP of 1.77, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-heptan-2-yl-2-propylguanidine is sourced from PubChem (CID 104885589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).