1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine

C15H33N3 — CID 80557428

IUPAC1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine
SMILESCCCCCC(C)(CN)N1CCCC(N(C)C)C1
InChIInChI=1S/C15H33N3/c1-5-6-7-10-15(2,13-16)18-11-8-9-14(12-18)17(3)4/h14H,5-13,16H2,1-4H3
InChIKeyLXWIDEAWYPFBPA-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.31
Rot. Bonds7

About 1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine

1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine (PubChem CID 80557428) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine
PubChem CID80557428
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine
SMILESCCCCCC(C)(CN)N1CCCC(N(C)C)C1
InChIInChI=1S/C15H33N3/c1-5-6-7-10-15(2,13-16)18-11-8-9-14(12-18)17(3)4/h14H,5-13,16H2,1-4H3
InChIKeyLXWIDEAWYPFBPA-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
CID 103531540
1-(7-methyltetradecan-7-yl)piperidin-3-amine
CID 126486331
2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
CID 80557534
2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
CID 80557657
2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine
CID 79175486
2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
CID 103494824
2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
CID 63465793
2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine
CID 80557311
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine
CID 62885069
2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine
CID 80557474
N,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine
CID 137379854
2-methyl-2-(2-methylmorpholin-4-yl)nonan-1-amine
CID 43130140

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine (CID 80557428) is 1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine is CCCCCC(C)(CN)N1CCCC(N(C)C)C1.
What is the InChIKey of 1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine?
The InChIKey is LXWIDEAWYPFBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-6-7-10-15(2,13-16)18-11-8-9-14(12-18)17(3)4/h14H,5-13,16H2,1-4H3.
What are the key properties of 1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine?
1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine has a molecular weight of 255.45 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 80557428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).