N,2-dimethyl-2-pyrrolidin-1-yloct-7-en-3-amine

C14H28N2 — CID 79056476

IUPACN,2-dimethyl-2-pyrrolidin-1-yloct-7-en-3-amine
SMILESC=CCCCC(NC)C(C)(C)N1CCCC1
InChIInChI=1S/C14H28N2/c1-5-6-7-10-13(15-4)14(2,3)16-11-8-9-12-16/h5,13,15H,1,6-12H2,2-4H3
InChIKeyVHIIVKGNEWBIDN-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds7

About N,2-dimethyl-2-pyrrolidin-1-yloct-7-en-3-amine

N,2-dimethyl-2-pyrrolidin-1-yloct-7-en-3-amine (PubChem CID 79056476) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N,2-dimethyl-2-pyrrolidin-1-yloct-7-en-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-pyrrolidin-1-yloct-7-en-3-amine
PubChem CID79056476
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN,2-dimethyl-2-pyrrolidin-1-yloct-7-en-3-amine
SMILESC=CCCCC(NC)C(C)(C)N1CCCC1
InChIInChI=1S/C14H28N2/c1-5-6-7-10-13(15-4)14(2,3)16-11-8-9-12-16/h5,13,15H,1,6-12H2,2-4H3
InChIKeyVHIIVKGNEWBIDN-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-pyrrolidin-1-yloct-7-en-3-amine?
The IUPAC name of N,2-dimethyl-2-pyrrolidin-1-yloct-7-en-3-amine (CID 79056476) is N,2-dimethyl-2-pyrrolidin-1-yloct-7-en-3-amine.
What is the SMILES notation for N,2-dimethyl-2-pyrrolidin-1-yloct-7-en-3-amine?
The canonical SMILES for N,2-dimethyl-2-pyrrolidin-1-yloct-7-en-3-amine is C=CCCCC(NC)C(C)(C)N1CCCC1.
What is the InChIKey of N,2-dimethyl-2-pyrrolidin-1-yloct-7-en-3-amine?
The InChIKey is VHIIVKGNEWBIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-6-7-10-13(15-4)14(2,3)16-11-8-9-12-16/h5,13,15H,1,6-12H2,2-4H3.
What are the key properties of N,2-dimethyl-2-pyrrolidin-1-yloct-7-en-3-amine?
N,2-dimethyl-2-pyrrolidin-1-yloct-7-en-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-pyrrolidin-1-yloct-7-en-3-amine is sourced from PubChem (CID 79056476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).