N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine

C15H28N2 — CID 106616594

IUPACN-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine
SMILESCCCCN(CC1CCCN1)C1C=CCCC1
InChIInChI=1S/C15H28N2/c1-2-3-12-17(13-14-8-7-11-16-14)15-9-5-4-6-10-15/h5,9,14-16H,2-4,6-8,10-13H2,1H3
InChIKeyZFHYVZCYRADXKA-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.95
Rot. Bonds6

About N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine

N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine (PubChem CID 106616594) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine
PubChem CID106616594
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine
SMILESCCCCN(CC1CCCN1)C1C=CCCC1
InChIInChI=1S/C15H28N2/c1-2-3-12-17(13-14-8-7-11-16-14)15-9-5-4-6-10-15/h5,9,14-16H,2-4,6-8,10-13H2,1H3
InChIKeyZFHYVZCYRADXKA-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604985
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 28598118
N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604803
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106604774
N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106873334
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106604683
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 106605079
N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979302
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine?
The IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine (CID 106616594) is N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine is CCCCN(CC1CCCN1)C1C=CCCC1.
What is the InChIKey of N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine?
The InChIKey is ZFHYVZCYRADXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-3-12-17(13-14-8-7-11-16-14)15-9-5-4-6-10-15/h5,9,14-16H,2-4,6-8,10-13H2,1H3.
What are the key properties of N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine?
N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 106616594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).