N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine

C12H26N2 — CID 97017290

IUPACN-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
SMILESCCCNC[C@H]1CCCCN1CCC
InChIInChI=1S/C12H26N2/c1-3-8-13-11-12-7-5-6-10-14(12)9-4-2/h12-13H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyUTCMMDRVXJOJHR-GFCCVEGCSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds6

About N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine

N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine (PubChem CID 97017290) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
PubChem CID97017290
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
SMILESCCCNC[C@H]1CCCCN1CCC
InChIInChI=1S/C12H26N2/c1-3-8-13-11-12-7-5-6-10-14(12)9-4-2/h12-13H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyUTCMMDRVXJOJHR-GFCCVEGCSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
2-methyl-4-[2-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79355208
N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
CID 113436916
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066
N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine
CID 66039743
N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine
CID 62580582
N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine
CID 106438717
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine
CID 114528223
N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847147
[1-[2-(propylamino)ethyl]azepan-2-yl]methanol
CID 116637143
2-[1-[2-(propylamino)ethyl]piperidin-2-yl]ethanol
CID 53211565

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine (CID 97017290) is N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine is CCCNC[C@H]1CCCCN1CCC.
What is the InChIKey of N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine?
The InChIKey is UTCMMDRVXJOJHR-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-8-13-11-12-7-5-6-10-14(12)9-4-2/h12-13H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine?
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 97017290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).