N-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine

C14H26N2 — CID 103070872

IUPACN-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CC(C)CCC1C
InChIInChI=1S/C14H26N2/c1-11-4-5-13(3)16(9-11)10-12(2)8-15-14-6-7-14/h11,13-15H,2,4-10H2,1,3H3
InChIKeyMNRVWLPPLYQLSC-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.41
Rot. Bonds5

About N-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine

N-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine (PubChem CID 103070872) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
PubChem CID103070872
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CC(C)CCC1C
InChIInChI=1S/C14H26N2/c1-11-4-5-13(3)16(9-11)10-12(2)8-15-14-6-7-14/h11,13-15H,2,4-10H2,1,3H3
InChIKeyMNRVWLPPLYQLSC-UHFFFAOYSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
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

2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine
CID 103070868
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol
CID 106673564
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-methylazepan-2-one
CID 103072534
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol
CID 103071389
2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103071356
N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103069929
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one
CID 103072989
N-cyclopropyl-2-methylidene-N',N'-dipropylpropane-1,3-diamine
CID 103068881
N-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine
CID 103070427
N-[2-(butoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074641
1-butyl-2,5-dimethylpiperidine
CID 130702123
2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]ethanamine
CID 97002391

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine (CID 103070872) is N-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)CN1CC(C)CCC1C.
What is the InChIKey of N-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
The InChIKey is MNRVWLPPLYQLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11-4-5-13(3)16(9-11)10-12(2)8-15-14-6-7-14/h11,13-15H,2,4-10H2,1,3H3.
What are the key properties of N-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
N-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine has a molecular weight of 222.38 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-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103070872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).