N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine

C14H28N2 — CID 66039743

IUPACN-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine
SMILESC=C(CC)CN1CCCCC1CNCCC
InChIInChI=1S/C14H28N2/c1-4-9-15-11-14-8-6-7-10-16(14)12-13(3)5-2/h14-15H,3-12H2,1-2H3
InChIKeyWZXCYXXVCHVDNL-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds7

About N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine

N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine (PubChem CID 66039743) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine
PubChem CID66039743
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine
SMILESC=C(CC)CN1CCCCC1CNCCC
InChIInChI=1S/C14H28N2/c1-4-9-15-11-14-8-6-7-10-16(14)12-13(3)5-2/h14-15H,3-12H2,1-2H3
InChIKeyWZXCYXXVCHVDNL-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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Related Compounds

N-methyl-1-[1-(2-methylidenebutyl)piperidin-2-yl]methanamine
CID 66044070
N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine
CID 106438717
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847147
2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol
CID 66038303
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
2-methyl-4-[2-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79355208
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
[1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
CID 103069579
[(2S)-1-(2-methylidenebutyl)pyrrolidin-2-yl]methanol
CID 66261614
N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847154
N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
CID 113436916

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine (CID 66039743) is N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine is C=C(CC)CN1CCCCC1CNCCC.
What is the InChIKey of N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is WZXCYXXVCHVDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-9-15-11-14-8-6-7-10-16(14)12-13(3)5-2/h14-15H,3-12H2,1-2H3.
What are the key properties of N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine?
N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-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-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66039743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).