N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine

C14H28N2 — CID 66043827

IUPACN-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine
SMILESC=C(CC)CN1CCCC(CNC(C)C)C1
InChIInChI=1S/C14H28N2/c1-5-13(4)10-16-8-6-7-14(11-16)9-15-12(2)3/h12,14-15H,4-11H2,1-3H3
InChIKeyDOQAUJXWTAVVAV-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds6

About N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine

N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 66043827) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID66043827
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine
SMILESC=C(CC)CN1CCCC(CNC(C)C)C1
InChIInChI=1S/C14H28N2/c1-5-13(4)10-16-8-6-7-14(11-16)9-15-12(2)3/h12,14-15H,4-11H2,1-3H3
InChIKeyDOQAUJXWTAVVAV-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
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-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241265
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580790
1-(2-methylidenebutyl)piperidin-3-amine
CID 66047170
N-[[1-(cyclopentylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580792
N-(2-methylpropyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 55173495
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63241892
tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate
CID 63241433
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 62581880
N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine
CID 63405022
N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 82891574
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63241706
N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine
CID 63847588

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine (CID 66043827) is N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine is C=C(CC)CN1CCCC(CNC(C)C)C1.
What is the InChIKey of N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is DOQAUJXWTAVVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-13(4)10-16-8-6-7-14(11-16)9-15-12(2)3/h12,14-15H,4-11H2,1-3H3.
What are the key properties of N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 6 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-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66043827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).