N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine

C14H30N2 — CID 83158561

IUPACN-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(CCCC(C)C)CC1
InChIInChI=1S/C14H30N2/c1-4-15-12-14-7-10-16(11-8-14)9-5-6-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyGHQWOUVHHKGRNP-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds7

About N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine

N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 83158561) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine
PubChem CID83158561
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(CCCC(C)C)CC1
InChIInChI=1S/C14H30N2/c1-4-15-12-14-7-10-16(11-8-14)9-5-6-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyGHQWOUVHHKGRNP-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen
CID 143678489
N-[[1-(3-ethoxypropyl)piperidin-4-yl]methyl]ethanamine
CID 65175474
2-[4-(ethylaminomethyl)piperidin-1-yl]ethanol
CID 63588121
N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine
CID 106453503
N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62511464
N-[[1-(3-methylsulfonylpropyl)piperidin-4-yl]methyl]ethanamine
CID 63191516
1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine
CID 177247678
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]methyl]propan-1-amine
CID 62591338
ethane;4-ethyl-1-(6-methylheptyl)piperidine
CID 170614915
N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62581148
methyl 1-(4-methylpentyl)piperidine-4-carboxylate
CID 83161732
6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol
CID 107707143

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine (CID 83158561) is N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(CCCC(C)C)CC1.
What is the InChIKey of N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is GHQWOUVHHKGRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-15-12-14-7-10-16(11-8-14)9-5-6-13(2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 83158561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).