N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine

C17H37N3 — CID 83054006

IUPACN-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine
SMILESCCCC(CNC(C)(C)C)N1CCC(CN(C)C)CC1
InChIInChI=1S/C17H37N3/c1-7-8-16(13-18-17(2,3)4)20-11-9-15(10-12-20)14-19(5)6/h15-16,18H,7-14H2,1-6H3
InChIKeyZHFSJJBQICEESP-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.82
Rot. Bonds7

About N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine

N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine (PubChem CID 83054006) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine
PubChem CID83054006
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine
SMILESCCCC(CNC(C)(C)C)N1CCC(CN(C)C)CC1
InChIInChI=1S/C17H37N3/c1-7-8-16(13-18-17(2,3)4)20-11-9-15(10-12-20)14-19(5)6/h15-16,18H,7-14H2,1-6H3
InChIKeyZHFSJJBQICEESP-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 83042494
N-tert-butyl-2-(4-ethylazepan-1-yl)pentan-1-amine
CID 83055251
N-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
CID 114238325
N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
CID 83038989
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine
CID 62430609
N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine
CID 83054955
N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
CID 83054505
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine
CID 79409791
1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine
CID 83054704
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-amine
CID 54985774
N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine
CID 146262261
N-tert-butyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine
CID 83221318

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine?
The IUPAC name of N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine (CID 83054006) is N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine is CCCC(CNC(C)(C)C)N1CCC(CN(C)C)CC1.
What is the InChIKey of N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine?
The InChIKey is ZHFSJJBQICEESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-7-8-16(13-18-17(2,3)4)20-11-9-15(10-12-20)14-19(5)6/h15-16,18H,7-14H2,1-6H3.
What are the key properties of N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine?
N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine is sourced from PubChem (CID 83054006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).