1-methyl-1-[(2R,6R)-6-(methylamino)heptan-2-yl]guanidine

C10H24N4 — CID 121450916

IUPAC1-methyl-1-[(2R,6R)-6-(methylamino)heptan-2-yl]guanidine
SMILES[H]/N=C(\N)N(C)[C@H](C)CCC[C@@H](C)NC
InChIInChI=1S/C10H24N4/c1-8(13-3)6-5-7-9(2)14(4)10(11)12/h8-9,13H,5-7H2,1-4H3,(H3,11,12)/t8-,9-/m1/s1
InChIKeyKZIHEWNHGULCKT-RKDXNWHRSA-N
MW200.33 g/mol
LogP0.98
Rot. Bonds6

About 1-methyl-1-[(2R,6R)-6-(methylamino)heptan-2-yl]guanidine

1-methyl-1-[(2R,6R)-6-(methylamino)heptan-2-yl]guanidine (PubChem CID 121450916) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-methyl-1-[(2R,6R)-6-(methylamino)heptan-2-yl]guanidine.

Molecular Properties

Compound Name1-methyl-1-[(2R,6R)-6-(methylamino)heptan-2-yl]guanidine
PubChem CID121450916
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name1-methyl-1-[(2R,6R)-6-(methylamino)heptan-2-yl]guanidine
SMILES[H]/N=C(\N)N(C)[C@H](C)CCC[C@@H](C)NC
InChIInChI=1S/C10H24N4/c1-8(13-3)6-5-7-9(2)14(4)10(11)12/h8-9,13H,5-7H2,1-4H3,(H3,11,12)/t8-,9-/m1/s1
InChIKeyKZIHEWNHGULCKT-RKDXNWHRSA-N
XLogP0.98
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
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

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N-methyltetradecan-2-amine
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CID 63982710
(2R)-5-chloro-N-methylpentan-2-amine
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CID 170755203

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2R,6R)-6-(methylamino)heptan-2-yl]guanidine?
The IUPAC name of 1-methyl-1-[(2R,6R)-6-(methylamino)heptan-2-yl]guanidine (CID 121450916) is 1-methyl-1-[(2R,6R)-6-(methylamino)heptan-2-yl]guanidine.
What is the SMILES notation for 1-methyl-1-[(2R,6R)-6-(methylamino)heptan-2-yl]guanidine?
The canonical SMILES for 1-methyl-1-[(2R,6R)-6-(methylamino)heptan-2-yl]guanidine is [H]/N=C(\N)N(C)[C@H](C)CCC[C@@H](C)NC.
What is the InChIKey of 1-methyl-1-[(2R,6R)-6-(methylamino)heptan-2-yl]guanidine?
The InChIKey is KZIHEWNHGULCKT-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H24N4/c1-8(13-3)6-5-7-9(2)14(4)10(11)12/h8-9,13H,5-7H2,1-4H3,(H3,11,12)/t8-,9-/m1/s1.
What are the key properties of 1-methyl-1-[(2R,6R)-6-(methylamino)heptan-2-yl]guanidine?
1-methyl-1-[(2R,6R)-6-(methylamino)heptan-2-yl]guanidine has a molecular weight of 200.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2R,6R)-6-(methylamino)heptan-2-yl]guanidine is sourced from PubChem (CID 121450916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).