N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine

C17H29N3 — CID 103958750

IUPACN-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCC[C@H](N)c1ccccc1N(C)C1CCN(CC)CC1
InChIInChI=1S/C17H29N3/c1-4-16(18)15-8-6-7-9-17(15)19(3)14-10-12-20(5-2)13-11-14/h6-9,14,16H,4-5,10-13,18H2,1-3H3/t16-/m0/s1
InChIKeyMZMNBZVRUQQEFC-INIZCTEOSA-N
MW275.44 g/mol
LogP3.02
Rot. Bonds5

About N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine

N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 103958750) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID103958750
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCC[C@H](N)c1ccccc1N(C)C1CCN(CC)CC1
InChIInChI=1S/C17H29N3/c1-4-16(18)15-8-6-7-9-17(15)19(3)14-10-12-20(5-2)13-11-14/h6-9,14,16H,4-5,10-13,18H2,1-3H3/t16-/m0/s1
InChIKeyMZMNBZVRUQQEFC-INIZCTEOSA-N
XLogP3.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(1-aminopropyl)-N-ethyl-N-methylaniline
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2-(1-aminopropyl)-N,N-dimethylaniline
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2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
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1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677803
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669
2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 112678059
N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
CID 55190297
1-N-(1-ethylpiperidin-4-yl)-2-iodo-1-N-methylbenzene-1,4-diamine
CID 66093142
1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,2-diamine
CID 55004013

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine (CID 103958750) is N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine is CC[C@H](N)c1ccccc1N(C)C1CCN(CC)CC1.
What is the InChIKey of N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is MZMNBZVRUQQEFC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-16(18)15-8-6-7-9-17(15)19(3)14-10-12-20(5-2)13-11-14/h6-9,14,16H,4-5,10-13,18H2,1-3H3/t16-/m0/s1.
What are the key properties of N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 275.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 103958750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).