N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine

C14H30N2 — CID 170705762

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CC1CCN(CC)CC1
InChIInChI=1S/C14H30N2/c1-4-9-16(10-5-2)13-14-7-11-15(6-3)12-8-14/h14H,4-13H2,1-3H3
InChIKeyWROCXRQAEMUNJX-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.84
Rot. Bonds7

About N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine

N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine (PubChem CID 170705762) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine
PubChem CID170705762
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CC1CCN(CC)CC1
InChIInChI=1S/C14H30N2/c1-4-9-16(10-5-2)13-14-7-11-15(6-3)12-8-14/h14H,4-13H2,1-3H3
InChIKeyWROCXRQAEMUNJX-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-diethylpiperidine;ethane
CID 143709904
N-(cyclopropylmethyl)-N-(pyrrolidin-1-ylmethyl)propan-1-amine
CID 91213184
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine
CID 171641475
N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine
CID 61445615
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
N-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496
benzene;ethane;1-ethyl-4-propylpiperidine
CID 90839666
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide
CID 163401097
tert-butyl 4-[(dipropylamino)methyl]piperidine-1-carboxylate
CID 123464711
N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine
CID 21355618
N-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
CID 75400617
4-butyl-1-ethylpiperidine;hydrofluoride
CID 175875172

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine (CID 170705762) is N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine is CCCN(CCC)CC1CCN(CC)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine?
The InChIKey is WROCXRQAEMUNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-9-16(10-5-2)13-14-7-11-15(6-3)12-8-14/h14H,4-13H2,1-3H3.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine?
N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 170705762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).