N-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine

C13H26N2 — CID 77010204

IUPACN-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine
SMILESCC=CCN1CCCCC1CNC(C)C
InChIInChI=1S/C13H26N2/c1-4-5-9-15-10-7-6-8-13(15)11-14-12(2)3/h4-5,12-14H,6-11H2,1-3H3
InChIKeyDLVWNTZKDRQTCG-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.41
Rot. Bonds5

About N-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine

N-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine (PubChem CID 77010204) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is N-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine
PubChem CID77010204
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC NameN-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine
SMILESCC=CCN1CCCCC1CNC(C)C
InChIInChI=1S/C13H26N2/c1-4-5-9-15-10-7-6-8-13(15)11-14-12(2)3/h4-5,12-14H,6-11H2,1-3H3
InChIKeyDLVWNTZKDRQTCG-UHFFFAOYSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.41
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-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine
CID 77010212
(1-but-2-enylpiperidin-2-yl)methanamine
CID 76919198
2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid
CID 61009719
(1-but-2-enylpyrrolidin-2-yl)methanol
CID 76932279
N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
N-[(1-propylpyrrolidin-2-yl)methyl]propan-2-amine
CID 62579817
N-[[1-(2-ethoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62581842
2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol
CID 79355209
1-(1-but-2-enylpyrrolidin-2-yl)propan-2-one
CID 79547073
N-cyclopropyl-N-methyl-2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848709
N-methyl-1-(1-prop-2-enylpiperidin-2-yl)methanamine
CID 62384358
N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581621

Frequently Asked Questions

What is the IUPAC name of N-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine (CID 77010204) is N-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine is CC=CCN1CCCCC1CNC(C)C.
What is the InChIKey of N-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine?
The InChIKey is DLVWNTZKDRQTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-5-9-15-10-7-6-8-13(15)11-14-12(2)3/h4-5,12-14H,6-11H2,1-3H3.
What are the key properties of N-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine?
N-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine has a molecular weight of 210.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 77010204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).