2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride

C13H29ClN2 — CID 119930509

IUPAC2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
SMILESCC(C)CN(CC1CCCNC1)C(C)C.Cl
InChIInChI=1S/C13H28N2.ClH/c1-11(2)9-15(12(3)4)10-13-6-5-7-14-8-13;/h11-14H,5-10H2,1-4H3;1H
InChIKeyXNVQBSHTUGGWSB-UHFFFAOYSA-N
MW248.84 g/mol
LogP2.77
Rot. Bonds5

About 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride

2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride (PubChem CID 119930509) has the molecular formula C13H29ClN2 and a molecular weight of 248.84 g/mol. Its IUPAC name is 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
PubChem CID119930509
Molecular FormulaC13H29ClN2
Molecular Weight248.84 g/mol
Exact Mass248.20
IUPAC Name2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
SMILESCC(C)CN(CC1CCCNC1)C(C)C.Cl
InChIInChI=1S/C13H28N2.ClH/c1-11(2)9-15(12(3)4)10-13-6-5-7-14-8-13;/h11-14H,5-10H2,1-4H3;1H
InChIKeyXNVQBSHTUGGWSB-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.84
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
2-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 103815885
N-(cyclobutylmethyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 121474434
3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile
CID 80554495
N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine
CID 106638166
N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 106637776
N-[(4-bromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624142
3-(3-methylbutyl)piperidine
CID 53409753
2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106624038
N-(cyclopropylmethyl)-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
CID 106637630
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637480
N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624273

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride?
The IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride (CID 119930509) is 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride is CC(C)CN(CC1CCCNC1)C(C)C.Cl.
What is the InChIKey of 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride?
The InChIKey is XNVQBSHTUGGWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.ClH/c1-11(2)9-15(12(3)4)10-13-6-5-7-14-8-13;/h11-14H,5-10H2,1-4H3;1H.
What are the key properties of 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride?
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride has a molecular weight of 248.84 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 119930509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).