N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2,2,3,3-tetramethylbutan-1-amine

C16H35N3 — CID 115214555

IUPACN-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2,2,3,3-tetramethylbutan-1-amine
SMILESCC(C)(C)C(C)(C)CNCC1CCN(CCN)CC1
InChIInChI=1S/C16H35N3/c1-15(2,3)16(4,5)13-18-12-14-6-9-19(10-7-14)11-8-17/h14,18H,6-13,17H2,1-5H3
InChIKeyRQXAYMOANJPOBX-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.32
Rot. Bonds6

About N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2,2,3,3-tetramethylbutan-1-amine

N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2,2,3,3-tetramethylbutan-1-amine (PubChem CID 115214555) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2,2,3,3-tetramethylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2,2,3,3-tetramethylbutan-1-amine
PubChem CID115214555
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2,2,3,3-tetramethylbutan-1-amine
SMILESCC(C)(C)C(C)(C)CNCC1CCN(CCN)CC1
InChIInChI=1S/C16H35N3/c1-15(2,3)16(4,5)13-18-12-14-6-9-19(10-7-14)11-8-17/h14,18H,6-13,17H2,1-5H3
InChIKeyRQXAYMOANJPOBX-UHFFFAOYSA-N
XLogP2.32
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine
CID 83983099
1-(2-aminoethyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 121230314
1-N-(cyclopropylmethyl)-2-methylpropane-1,2-diamine
CID 61264893
tert-butyl 4-[[1-(2-aminoethyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 176580703
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine
CID 115214538
N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide
CID 102736096
3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine
CID 19846011
2-[4-(ethylaminomethyl)piperidin-1-yl]ethanol
CID 63588121
N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen
CID 143678489
3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 19845999
2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79356027

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2,2,3,3-tetramethylbutan-1-amine?
The IUPAC name of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2,2,3,3-tetramethylbutan-1-amine (CID 115214555) is N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2,2,3,3-tetramethylbutan-1-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2,2,3,3-tetramethylbutan-1-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2,2,3,3-tetramethylbutan-1-amine is CC(C)(C)C(C)(C)CNCC1CCN(CCN)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2,2,3,3-tetramethylbutan-1-amine?
The InChIKey is RQXAYMOANJPOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-15(2,3)16(4,5)13-18-12-14-6-9-19(10-7-14)11-8-17/h14,18H,6-13,17H2,1-5H3.
What are the key properties of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2,2,3,3-tetramethylbutan-1-amine?
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2,2,3,3-tetramethylbutan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2,2,3,3-tetramethylbutan-1-amine is sourced from PubChem (CID 115214555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).