2-[(4R)-4-(methylamino)hexyl]guanidine

C8H20N4 — CID 134462565

IUPAC2-[(4R)-4-(methylamino)hexyl]guanidine
SMILESCC[C@H](CCCN=C(N)N)NC
InChIInChI=1S/C8H20N4/c1-3-7(11-2)5-4-6-12-8(9)10/h7,11H,3-6H2,1-2H3,(H4,9,10,12)/t7-/m1/s1
InChIKeyMHFRGMGCZCKRIB-SSDOTTSWSA-N
MW172.28 g/mol
LogP0.04
Rot. Bonds6

About 2-[(4R)-4-(methylamino)hexyl]guanidine

2-[(4R)-4-(methylamino)hexyl]guanidine (PubChem CID 134462565) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2-[(4R)-4-(methylamino)hexyl]guanidine.

Molecular Properties

Compound Name2-[(4R)-4-(methylamino)hexyl]guanidine
PubChem CID134462565
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name2-[(4R)-4-(methylamino)hexyl]guanidine
SMILESCC[C@H](CCCN=C(N)N)NC
InChIInChI=1S/C8H20N4/c1-3-7(11-2)5-4-6-12-8(9)10/h7,11H,3-6H2,1-2H3,(H4,9,10,12)/t7-/m1/s1
InChIKeyMHFRGMGCZCKRIB-SSDOTTSWSA-N
XLogP0.04
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

2-[(4R)-4-(methylamino)pentyl]guanidine
CID 59032682
5-(diaminomethylideneamino)-2-(methylamino)pentanamide
CID 58899050
2-[(4S)-5,5-dihydroxy-4-(methylamino)pentyl]guanidine
CID 126727356
ethane;2-(4-methylpentyl)guanidine
CID 170602256
2-[(4R)-4-(methylamino)-5-oxohexyl]guanidine
CID 59966003
(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
2-[4-(hydroxymethyl)hexyl]guanidine
CID 88928273
ethane;2-[4-(methylamino)-5-oxohexyl]guanidine
CID 145328889
5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride
CID 23193375
2-(4-butyloctyl)guanidine
CID 167172231
6-(methylamino)octan-2-ol
CID 170714877
2-(4-aminoheptyl)guanidine;dihydrochloride
CID 167727612

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(methylamino)hexyl]guanidine?
The IUPAC name of 2-[(4R)-4-(methylamino)hexyl]guanidine (CID 134462565) is 2-[(4R)-4-(methylamino)hexyl]guanidine.
What is the SMILES notation for 2-[(4R)-4-(methylamino)hexyl]guanidine?
The canonical SMILES for 2-[(4R)-4-(methylamino)hexyl]guanidine is CC[C@H](CCCN=C(N)N)NC.
What is the InChIKey of 2-[(4R)-4-(methylamino)hexyl]guanidine?
The InChIKey is MHFRGMGCZCKRIB-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H20N4/c1-3-7(11-2)5-4-6-12-8(9)10/h7,11H,3-6H2,1-2H3,(H4,9,10,12)/t7-/m1/s1.
What are the key properties of 2-[(4R)-4-(methylamino)hexyl]guanidine?
2-[(4R)-4-(methylamino)hexyl]guanidine has a molecular weight of 172.28 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(methylamino)hexyl]guanidine is sourced from PubChem (CID 134462565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).