cis-(1S,2R)-2-(methylideneamino)-N-propylcycloheptan-1-amine

C11H22N2 — CID 167296625

IUPACcis-(1S,2R)-2-(methylideneamino)-N-propylcycloheptan-1-amine
SMILESC=N[C@@H]1CCCCC[C@@H]1NCCC
InChIInChI=1S/C11H22N2/c1-3-9-13-11-8-6-4-5-7-10(11)12-2/h10-11,13H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyJQJOLYSTIICAOD-MNOVXSKESA-N
MW182.31 g/mol
LogP2.39
Rot. Bonds4

About cis-(1S,2R)-2-(methylideneamino)-N-propylcycloheptan-1-amine

cis-(1S,2R)-2-(methylideneamino)-N-propylcycloheptan-1-amine (PubChem CID 167296625) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is cis-(1S,2R)-2-(methylideneamino)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-(methylideneamino)-N-propylcycloheptan-1-amine
PubChem CID167296625
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Namecis-(1S,2R)-2-(methylideneamino)-N-propylcycloheptan-1-amine
SMILESC=N[C@@H]1CCCCC[C@@H]1NCCC
InChIInChI=1S/C11H22N2/c1-3-9-13-11-8-6-4-5-7-10(11)12-2/h10-11,13H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyJQJOLYSTIICAOD-MNOVXSKESA-N
XLogP2.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethanol;2-methyl-N-propylcycloheptan-1-amine
CID 71071730
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
(2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 134943095
2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine
CID 64627611
2-propoxy-N-propylcyclododecan-1-amine
CID 63500356
2-propan-2-yl-N-propylcyclohexan-1-amine
CID 62603110
2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine
CID 55194189
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine
CID 63475623
2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine
CID 107044665
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcycloheptan-1-amine
CID 79188611

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(methylideneamino)-N-propylcycloheptan-1-amine?
The IUPAC name of cis-(1S,2R)-2-(methylideneamino)-N-propylcycloheptan-1-amine (CID 167296625) is cis-(1S,2R)-2-(methylideneamino)-N-propylcycloheptan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-(methylideneamino)-N-propylcycloheptan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-(methylideneamino)-N-propylcycloheptan-1-amine is C=N[C@@H]1CCCCC[C@@H]1NCCC.
What is the InChIKey of cis-(1S,2R)-2-(methylideneamino)-N-propylcycloheptan-1-amine?
The InChIKey is JQJOLYSTIICAOD-MNOVXSKESA-N. The full InChI is InChI=1S/C11H22N2/c1-3-9-13-11-8-6-4-5-7-10(11)12-2/h10-11,13H,2-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(methylideneamino)-N-propylcycloheptan-1-amine?
cis-(1S,2R)-2-(methylideneamino)-N-propylcycloheptan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(methylideneamino)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 167296625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).