heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine

C19H44N6 — CID 155716609

IUPACheptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine
SMILESC/N=C(\N)N/C(N)=N/CCCCCCC(C)C.CCCCCCCN
InChIInChI=1S/C12H27N5.C7H17N/c1-10(2)8-6-4-5-7-9-16-12(14)17-11(13)15-3;1-2-3-4-5-6-7-8/h10H,4-9H2,1-3H3,(H5,13,14,15,16,17);2-8H2,1H3
InChIKeyQQQFRNPYBJIODS-UHFFFAOYSA-N
MW356.60 g/mol
LogP3.36
Rot. Bonds12

About heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine

heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine (PubChem CID 155716609) has the molecular formula C19H44N6 and a molecular weight of 356.60 g/mol. Its IUPAC name is heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine.

Molecular Properties

Compound Nameheptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine
PubChem CID155716609
Molecular FormulaC19H44N6
Molecular Weight356.60 g/mol
Exact Mass356.36
IUPAC Nameheptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine
SMILESC/N=C(\N)N/C(N)=N/CCCCCCC(C)C.CCCCCCCN
InChIInChI=1S/C12H27N5.C7H17N/c1-10(2)8-6-4-5-7-9-16-12(14)17-11(13)15-3;1-2-3-4-5-6-7-8/h10H,4-9H2,1-3H3,(H5,13,14,15,16,17);2-8H2,1H3
InChIKeyQQQFRNPYBJIODS-UHFFFAOYSA-N
XLogP3.36
TPSA114.81 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025
1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide
CID 111025048
2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine
CID 150669227
(N'-hexylcarbamimidoyl)urea
CID 87601330
2-nonyl-1-propan-2-ylguanidine
CID 111034727
1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine
CID 176535600
hydroxylamine;2-methylnonadecane
CID 87902402
1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;hydrochloride
CID 18968508
36-methylheptatriacontan-1-amine
CID 134324173
1-carbamimidoyl-2-hexylguanidine
CID 176518657
18-methylnonadecan-1-amine;hydrochloride
CID 173047380

Frequently Asked Questions

What is the IUPAC name of heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine?
The IUPAC name of heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine (CID 155716609) is heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine.
What is the SMILES notation for heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine?
The canonical SMILES for heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine is C/N=C(\N)N/C(N)=N/CCCCCCC(C)C.CCCCCCCN.
What is the InChIKey of heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine?
The InChIKey is QQQFRNPYBJIODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N5.C7H17N/c1-10(2)8-6-4-5-7-9-16-12(14)17-11(13)15-3;1-2-3-4-5-6-7-8/h10H,4-9H2,1-3H3,(H5,13,14,15,16,17);2-8H2,1H3.
What are the key properties of heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine?
heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine has a molecular weight of 356.60 g/mol, XLogP of 3.36, 12 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine is sourced from PubChem (CID 155716609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).