N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine

C15H33N3 — CID 62432465

IUPACN,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine
SMILESCC(C)CNCCC(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C15H33N3/c1-13(2)12-16-9-6-14(3)18-10-7-15(8-11-18)17(4)5/h13-16H,6-12H2,1-5H3
InChIKeyOMTLFZMTVYLQNZ-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds7

About N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine

N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine (PubChem CID 62432465) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine
PubChem CID62432465
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine
SMILESCC(C)CNCCC(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C15H33N3/c1-13(2)12-16-9-6-14(3)18-10-7-15(8-11-18)17(4)5/h13-16H,6-12H2,1-5H3
InChIKeyOMTLFZMTVYLQNZ-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 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 ≤ 52.04
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

N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine
CID 62432463
N-(2-methylpropyl)-3-(4-methylsulfanylazepan-1-yl)butan-1-amine
CID 114238356
N,N-dimethyl-1-[1-(propan-2-ylamino)propan-2-yl]piperidin-4-amine
CID 62433161
1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 60915047
1-butan-2-yl-N,N-dimethylpiperidin-4-amine
CID 90697678
N-(2-methylpropyl)-4-thiomorpholin-4-ylpentan-1-amine
CID 62417518
N-(2-methylpropyl)-3-(1,4-oxazepan-4-yl)butan-1-amine
CID 62973036
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-(2-methylpropyl)butan-1-amine
CID 107456361
3-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 102968159
1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63167781
4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55070119
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine
CID 55073601

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine (CID 62432465) is N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine is CC(C)CNCCC(C)N1CCC(N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine?
The InChIKey is OMTLFZMTVYLQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-13(2)12-16-9-6-14(3)18-10-7-15(8-11-18)17(4)5/h13-16H,6-12H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine?
N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine is sourced from PubChem (CID 62432465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).