N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine

C14H26N4 — CID 106623020

IUPACN-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
SMILESCC(C)n1cncc1CN(C)CC1CCCCN1
InChIInChI=1S/C14H26N4/c1-12(2)18-11-15-8-14(18)10-17(3)9-13-6-4-5-7-16-13/h8,11-13,16H,4-7,9-10H2,1-3H3
InChIKeyJDDIZFMTSATJPA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.04
Rot. Bonds5

About N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine

N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine (PubChem CID 106623020) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
PubChem CID106623020
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
SMILESCC(C)n1cncc1CN(C)CC1CCCCN1
InChIInChI=1S/C14H26N4/c1-12(2)18-11-15-8-14(18)10-17(3)9-13-6-4-5-7-16-13/h8,11-13,16H,4-7,9-10H2,1-3H3
InChIKeyJDDIZFMTSATJPA-UHFFFAOYSA-N
XLogP2.04
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
CID 71641920
N-(1H-imidazol-5-ylmethyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 106635288
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 102550778
N-methyl-1-[(2R)-piperidin-2-yl]-N-(pyrazin-2-ylmethyl)methanamine
CID 97164246
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 107124551
N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106635758
N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine
CID 106622951
N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603082
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 106623045
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine
CID 97164237
N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621751

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine (CID 106623020) is N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine is CC(C)n1cncc1CN(C)CC1CCCCN1.
What is the InChIKey of N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine?
The InChIKey is JDDIZFMTSATJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(2)18-11-15-8-14(18)10-17(3)9-13-6-4-5-7-16-13/h8,11-13,16H,4-7,9-10H2,1-3H3.
What are the key properties of N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine?
N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 106623020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).