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

C7H18N4 — CID 59032682

IUPAC2-[(4R)-4-(methylamino)pentyl]guanidine
SMILESCN[C@H](C)CCCN=C(N)N
InChIInChI=1S/C7H18N4/c1-6(10-2)4-3-5-11-7(8)9/h6,10H,3-5H2,1-2H3,(H4,8,9,11)/t6-/m1/s1
InChIKeyQBOPQOHAJYGNKC-ZCFIWIBFSA-N
MW158.25 g/mol
LogP-0.35
Rot. Bonds5

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

2-[(4R)-4-(methylamino)pentyl]guanidine (PubChem CID 59032682) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-[(4R)-4-(methylamino)pentyl]guanidine.

Molecular Properties

Compound Name2-[(4R)-4-(methylamino)pentyl]guanidine
PubChem CID59032682
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Name2-[(4R)-4-(methylamino)pentyl]guanidine
SMILESCN[C@H](C)CCCN=C(N)N
InChIInChI=1S/C7H18N4/c1-6(10-2)4-3-5-11-7(8)9/h6,10H,3-5H2,1-2H3,(H4,8,9,11)/t6-/m1/s1
InChIKeyQBOPQOHAJYGNKC-ZCFIWIBFSA-N
XLogP-0.35
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.35
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

ethane;2-(4-methylpentyl)guanidine
CID 170602256
5-(diaminomethylideneamino)-2-(methylamino)pentanamide
CID 58899050
2-[(4S)-5,5-dihydroxy-4-(methylamino)pentyl]guanidine
CID 126727356
2-[(4R)-4-(methylamino)hexyl]guanidine
CID 134462565
2-[(4R)-4-(methylamino)-5-oxohexyl]guanidine
CID 59966003
(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
ethane;2-[4-(methylamino)-5-oxohexyl]guanidine
CID 145328889
5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride
CID 23193375
(2S)-2-acetamido-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)pentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 155357209
(2S)-6-(diaminomethylideneamino)-N-[(5R)-5-(methylamino)hexyl]-2-[[(2R)-2-(methylamino)-3-sulfanylpropanoyl]amino]hexanamide
CID 165092390
2-[16-(methylamino)-17-oxooctadecyl]guanidine
CID 149014155
2-(4-butyloctyl)guanidine
CID 167172231

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(methylamino)pentyl]guanidine?
The IUPAC name of 2-[(4R)-4-(methylamino)pentyl]guanidine (CID 59032682) is 2-[(4R)-4-(methylamino)pentyl]guanidine.
What is the SMILES notation for 2-[(4R)-4-(methylamino)pentyl]guanidine?
The canonical SMILES for 2-[(4R)-4-(methylamino)pentyl]guanidine is CN[C@H](C)CCCN=C(N)N.
What is the InChIKey of 2-[(4R)-4-(methylamino)pentyl]guanidine?
The InChIKey is QBOPQOHAJYGNKC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H18N4/c1-6(10-2)4-3-5-11-7(8)9/h6,10H,3-5H2,1-2H3,(H4,8,9,11)/t6-/m1/s1.
What are the key properties of 2-[(4R)-4-(methylamino)pentyl]guanidine?
2-[(4R)-4-(methylamino)pentyl]guanidine has a molecular weight of 158.25 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(methylamino)pentyl]guanidine is sourced from PubChem (CID 59032682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).