[(Z)-aminomethylideneamino]methyl-[(2-propan-2-ylcycloheptyl)methyl]azanium

C13H28N3+ — CID 142233744

IUPAC[(Z)-aminomethylideneamino]methyl-[(2-propan-2-ylcycloheptyl)methyl]azanium
SMILESCC(C)C1CCCCCC1C[NH2+]C/N=C\N
InChIInChI=1S/C13H27N3/c1-11(2)13-7-5-3-4-6-12(13)8-15-10-16-9-14/h9,11-13,15H,3-8,10H2,1-2H3,(H2,14,16)/p+1
InChIKeyYOFIFNSBZBNNBQ-UHFFFAOYSA-O
MW226.39 g/mol
LogP1.35
Rot. Bonds5

About [(Z)-aminomethylideneamino]methyl-[(2-propan-2-ylcycloheptyl)methyl]azanium

[(Z)-aminomethylideneamino]methyl-[(2-propan-2-ylcycloheptyl)methyl]azanium (PubChem CID 142233744) has the molecular formula C13H28N3+ and a molecular weight of 226.39 g/mol. Its IUPAC name is [(Z)-aminomethylideneamino]methyl-[(2-propan-2-ylcycloheptyl)methyl]azanium.

Molecular Properties

Compound Name[(Z)-aminomethylideneamino]methyl-[(2-propan-2-ylcycloheptyl)methyl]azanium
PubChem CID142233744
Molecular FormulaC13H28N3+
Molecular Weight226.39 g/mol
Exact Mass226.23
IUPAC Name[(Z)-aminomethylideneamino]methyl-[(2-propan-2-ylcycloheptyl)methyl]azanium
SMILESCC(C)C1CCCCCC1C[NH2+]C/N=C\N
InChIInChI=1S/C13H27N3/c1-11(2)13-7-5-3-4-6-12(13)8-15-10-16-9-14/h9,11-13,15H,3-8,10H2,1-2H3,(H2,14,16)/p+1
InChIKeyYOFIFNSBZBNNBQ-UHFFFAOYSA-O
XLogP1.35
TPSA54.99 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane
CID 59105659
[(1R,2S)-2-propan-2-ylcyclohexyl]methanamine
CID 166498577
3-(2-propan-2-ylcyclohexyl)propan-1-amine
CID 84732620
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-[[(2R)-2-propan-2-ylcyclohexyl]methyl]azanium
CID 142063758
trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 169426294
1-[2-(aminomethyl)cycloheptyl]propan-2-amine
CID 156725506
formamide;1-methyl-2-propan-2-ylcyclohexane
CID 174972223
ethyl 2-(2-propan-2-ylcyclohexyl)acetate
CID 58689217
3-(2-propan-2-ylcyclohexyl)propanoic acid
CID 84733624
1-propan-2-yl-2-prop-2-ynylcyclopentane
CID 163812852
N,2-di(propan-2-yl)cycloheptan-1-amine
CID 164647627

Frequently Asked Questions

What is the IUPAC name of [(Z)-aminomethylideneamino]methyl-[(2-propan-2-ylcycloheptyl)methyl]azanium?
The IUPAC name of [(Z)-aminomethylideneamino]methyl-[(2-propan-2-ylcycloheptyl)methyl]azanium (CID 142233744) is [(Z)-aminomethylideneamino]methyl-[(2-propan-2-ylcycloheptyl)methyl]azanium.
What is the SMILES notation for [(Z)-aminomethylideneamino]methyl-[(2-propan-2-ylcycloheptyl)methyl]azanium?
The canonical SMILES for [(Z)-aminomethylideneamino]methyl-[(2-propan-2-ylcycloheptyl)methyl]azanium is CC(C)C1CCCCCC1C[NH2+]C/N=C\N.
What is the InChIKey of [(Z)-aminomethylideneamino]methyl-[(2-propan-2-ylcycloheptyl)methyl]azanium?
The InChIKey is YOFIFNSBZBNNBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H27N3/c1-11(2)13-7-5-3-4-6-12(13)8-15-10-16-9-14/h9,11-13,15H,3-8,10H2,1-2H3,(H2,14,16)/p+1.
What are the key properties of [(Z)-aminomethylideneamino]methyl-[(2-propan-2-ylcycloheptyl)methyl]azanium?
[(Z)-aminomethylideneamino]methyl-[(2-propan-2-ylcycloheptyl)methyl]azanium has a molecular weight of 226.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-aminomethylideneamino]methyl-[(2-propan-2-ylcycloheptyl)methyl]azanium is sourced from PubChem (CID 142233744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).