3-pentyl-N,N-bis(prop-2-enyl)piperidin-4-amine

C16H30N2 — CID 69409218

IUPAC3-pentyl-N,N-bis(prop-2-enyl)piperidin-4-amine
SMILESC=CCN(CC=C)C1CCNCC1CCCCC
InChIInChI=1S/C16H30N2/c1-4-7-8-9-15-14-17-11-10-16(15)18(12-5-2)13-6-3/h5-6,15-17H,2-4,7-14H2,1H3
InChIKeyHGMRFAMPZYRYRT-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.22
Rot. Bonds9

About 3-pentyl-N,N-bis(prop-2-enyl)piperidin-4-amine

3-pentyl-N,N-bis(prop-2-enyl)piperidin-4-amine (PubChem CID 69409218) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 3-pentyl-N,N-bis(prop-2-enyl)piperidin-4-amine.

Molecular Properties

Compound Name3-pentyl-N,N-bis(prop-2-enyl)piperidin-4-amine
PubChem CID69409218
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name3-pentyl-N,N-bis(prop-2-enyl)piperidin-4-amine
SMILESC=CCN(CC=C)C1CCNCC1CCCCC
InChIInChI=1S/C16H30N2/c1-4-7-8-9-15-14-17-11-10-16(15)18(12-5-2)13-6-3/h5-6,15-17H,2-4,7-14H2,1H3
InChIKeyHGMRFAMPZYRYRT-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-N-ethyl-10-fluoro-2,7,10-trimethyl-1-N-(2-methylhexan-3-yl)-1-N-prop-2-enylundecane-1,4-diamine
CID 166967998
3-ethyl-7-methyl-N-(3-piperidin-1-ylpropyl)octan-4-amine
CID 15030013
N,2,2,6,6-pentamethyl-N-prop-2-enylpiperidin-4-amine
CID 18619904
N-butyl-2,2,6,6-tetramethyl-N-prop-2-enylpiperidin-4-amine
CID 18619909
2,2,6,6-Tetramethyl-1-(prop-2-en-1-yl)piperidin-4-amine
CID 19090272
1,2,2,6,6-pentamethyl-N-(2-methylprop-2-enyl)piperidin-4-amine
CID 20259126
2,6-Diethyl-2,3,6-trimethyl-1-prop-2-enylpiperidin-4-amine
CID 20270968
2-Ethyl-2,3-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine
CID 20270972
2-Ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 20501051
2,2-Diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-amine
CID 20501057
2,2-Dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine
CID 20501060
2-Ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine
CID 20501062

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-N,N-bis(prop-2-enyl)piperidin-4-amine?
The IUPAC name of 3-pentyl-N,N-bis(prop-2-enyl)piperidin-4-amine (CID 69409218) is 3-pentyl-N,N-bis(prop-2-enyl)piperidin-4-amine.
What is the SMILES notation for 3-pentyl-N,N-bis(prop-2-enyl)piperidin-4-amine?
The canonical SMILES for 3-pentyl-N,N-bis(prop-2-enyl)piperidin-4-amine is C=CCN(CC=C)C1CCNCC1CCCCC.
What is the InChIKey of 3-pentyl-N,N-bis(prop-2-enyl)piperidin-4-amine?
The InChIKey is HGMRFAMPZYRYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-4-7-8-9-15-14-17-11-10-16(15)18(12-5-2)13-6-3/h5-6,15-17H,2-4,7-14H2,1H3.
What are the key properties of 3-pentyl-N,N-bis(prop-2-enyl)piperidin-4-amine?
3-pentyl-N,N-bis(prop-2-enyl)piperidin-4-amine has a molecular weight of 250.43 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-N,N-bis(prop-2-enyl)piperidin-4-amine is sourced from PubChem (CID 69409218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).