[(3S)-1-(6-methylheptyl)pyrrolidin-3-yl]hydrazine

C12H27N3 — CID 170615122

IUPAC[(3S)-1-(6-methylheptyl)pyrrolidin-3-yl]hydrazine
SMILESCC(C)CCCCCN1CC[C@H](NN)C1
InChIInChI=1S/C12H27N3/c1-11(2)6-4-3-5-8-15-9-7-12(10-15)14-13/h11-12,14H,3-10,13H2,1-2H3/t12-/m0/s1
InChIKeyNQKRQEOTVHXRMP-LBPRGKRZSA-N
MW213.37 g/mol
LogP1.74
Rot. Bonds7

About [(3S)-1-(6-methylheptyl)pyrrolidin-3-yl]hydrazine

[(3S)-1-(6-methylheptyl)pyrrolidin-3-yl]hydrazine (PubChem CID 170615122) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is [(3S)-1-(6-methylheptyl)pyrrolidin-3-yl]hydrazine.

Molecular Properties

Compound Name[(3S)-1-(6-methylheptyl)pyrrolidin-3-yl]hydrazine
PubChem CID170615122
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name[(3S)-1-(6-methylheptyl)pyrrolidin-3-yl]hydrazine
SMILESCC(C)CCCCCN1CC[C@H](NN)C1
InChIInChI=1S/C12H27N3/c1-11(2)6-4-3-5-8-15-9-7-12(10-15)14-13/h11-12,14H,3-10,13H2,1-2H3/t12-/m0/s1
InChIKeyNQKRQEOTVHXRMP-LBPRGKRZSA-N
XLogP1.74
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Ethyl-1-methyl-5-propylpyrazolidine
CID 134995713
(7,7,7-Trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-yl)hydrazine
CID 105239567
1-Methyl-3,5-di(propan-2-yl)pyrazolidine
CID 58029883
1,5-Dimethyl-3-propan-2-ylpyrazolidine
CID 89687965
1,5-Dimethyl-3-(2-methylpropyl)pyrazolidine
CID 89688027
1,5-Di(propan-2-yl)pyrazolidine
CID 89975192
1-Propan-2-yl-4-propylpyrazolidine
CID 90879920
3,5-Di(propan-2-yl)pyrazolidine
CID 91336090
4-(3-Methylbutyl)-1-(4-methylpentyl)triazolidine
CID 118014554
2-(5-Hydrazinylheptyl)-3-methylpyrrolidin-1-amine
CID 118699176
3-(5-Propylpyrrolidin-3-yl)propylhydrazine
CID 123237777
5-Cyclononyl-1-ethyltriazolidine
CID 123656529

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(6-methylheptyl)pyrrolidin-3-yl]hydrazine?
The IUPAC name of [(3S)-1-(6-methylheptyl)pyrrolidin-3-yl]hydrazine (CID 170615122) is [(3S)-1-(6-methylheptyl)pyrrolidin-3-yl]hydrazine.
What is the SMILES notation for [(3S)-1-(6-methylheptyl)pyrrolidin-3-yl]hydrazine?
The canonical SMILES for [(3S)-1-(6-methylheptyl)pyrrolidin-3-yl]hydrazine is CC(C)CCCCCN1CC[C@H](NN)C1.
What is the InChIKey of [(3S)-1-(6-methylheptyl)pyrrolidin-3-yl]hydrazine?
The InChIKey is NQKRQEOTVHXRMP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H27N3/c1-11(2)6-4-3-5-8-15-9-7-12(10-15)14-13/h11-12,14H,3-10,13H2,1-2H3/t12-/m0/s1.
What are the key properties of [(3S)-1-(6-methylheptyl)pyrrolidin-3-yl]hydrazine?
[(3S)-1-(6-methylheptyl)pyrrolidin-3-yl]hydrazine has a molecular weight of 213.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(6-methylheptyl)pyrrolidin-3-yl]hydrazine is sourced from PubChem (CID 170615122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).