2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine

C16H34N2 — CID 62592590

IUPAC2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCC(C)CN1CCC(CNCC(C)C)CC1
InChIInChI=1S/C16H34N2/c1-5-6-15(4)13-18-9-7-16(8-10-18)12-17-11-14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyDNJLRCBFUHYDQK-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.38
Rot. Bonds8

About 2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine

2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine (PubChem CID 62592590) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine
PubChem CID62592590
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCC(C)CN1CCC(CNCC(C)C)CC1
InChIInChI=1S/C16H34N2/c1-5-6-15(4)13-18-9-7-16(8-10-18)12-17-11-14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyDNJLRCBFUHYDQK-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol
CID 114249996
1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63929279
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266
3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63979502
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592050
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetonitrile
CID 63849301
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]methyl]propan-1-amine
CID 62591338
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64582008
2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 55135059
(3S)-1-(2-methylpentyl)pyrrolidin-3-amine
CID 115302330
(3R)-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66291662
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878751

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine (CID 62592590) is 2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine is CCCC(C)CN1CCC(CNCC(C)C)CC1.
What is the InChIKey of 2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is DNJLRCBFUHYDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-6-15(4)13-18-9-7-16(8-10-18)12-17-11-14(2)3/h14-17H,5-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62592590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).