N-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine

C13H28N2 — CID 163258007

IUPACN-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(CC1CCCCN1C)C(C)C
InChIInChI=1S/C13H28N2/c1-5-9-15(12(2)3)11-13-8-6-7-10-14(13)4/h12-13H,5-11H2,1-4H3
InChIKeyIHHKCNMQUWKBFS-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.59
Rot. Bonds5

About N-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine

N-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine (PubChem CID 163258007) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine
PubChem CID163258007
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(CC1CCCCN1C)C(C)C
InChIInChI=1S/C13H28N2/c1-5-9-15(12(2)3)11-13-8-6-7-10-14(13)4/h12-13H,5-11H2,1-4H3
InChIKeyIHHKCNMQUWKBFS-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine
CID 59904541
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 105431089
N-ethyl-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine
CID 163258347
2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid
CID 60838965
N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913819
1-methyl-2-(2-methylpropyl)azepane
CID 130636029
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
2-[2-(1-methylpiperidin-2-yl)ethyl-propylamino]acetonitrile
CID 103766528
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine
CID 79313962
2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide
CID 121226117
(2S)-2-amino-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]propanamide
CID 96553417

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine (CID 163258007) is N-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine is CCCN(CC1CCCCN1C)C(C)C.
What is the InChIKey of N-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is IHHKCNMQUWKBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-9-15(12(2)3)11-13-8-6-7-10-14(13)4/h12-13H,5-11H2,1-4H3.
What are the key properties of N-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine?
N-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 163258007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).