ethane;1-(3-ethylheptyl)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidin-4-amine

C23H44N2 — CID 142237000

IUPACethane;1-(3-ethylheptyl)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidin-4-amine
SMILESC=C(/C=C\C=C/C)NC1CCN(CCC(CC)CCCC)CC1.CC
InChIInChI=1S/C21H38N2.C2H6/c1-5-8-10-11-19(4)22-21-14-17-23(18-15-21)16-13-20(7-3)12-9-6-2;1-2/h5,8,10-11,20-22H,4,6-7,9,12-18H2,1-3H3;1-2H3/b8-5-,11-10-;
InChIKeyPFUHXJPRFCGQQY-BZAMSIIESA-N
MW348.62 g/mol
LogP6.32
Rot. Bonds11

About ethane;1-(3-ethylheptyl)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidin-4-amine

ethane;1-(3-ethylheptyl)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidin-4-amine (PubChem CID 142237000) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is ethane;1-(3-ethylheptyl)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidin-4-amine.

Molecular Properties

Compound Nameethane;1-(3-ethylheptyl)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidin-4-amine
PubChem CID142237000
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Nameethane;1-(3-ethylheptyl)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidin-4-amine
SMILESC=C(/C=C\C=C/C)NC1CCN(CCC(CC)CCCC)CC1.CC
InChIInChI=1S/C21H38N2.C2H6/c1-5-8-10-11-19(4)22-21-14-17-23(18-15-21)16-13-20(7-3)12-9-6-2;1-2/h5,8,10-11,20-22H,4,6-7,9,12-18H2,1-3H3;1-2H3/b8-5-,11-10-;
InChIKeyPFUHXJPRFCGQQY-BZAMSIIESA-N
XLogP6.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine
CID 107815392
2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110040870
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070
1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane
CID 170620403
N-(1-butylpiperidin-4-yl)-4-hydroxypentanamide
CID 79205186
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
(2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide
CID 61173353
N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 61251540
N-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine
CID 144655866
1-(2-ethylhexyl)pyrrolidine-3,4-diol
CID 106672045
4-bromo-1-(2-ethylhexyl)piperidine
CID 80678889

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-ethylheptyl)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidin-4-amine?
The IUPAC name of ethane;1-(3-ethylheptyl)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidin-4-amine (CID 142237000) is ethane;1-(3-ethylheptyl)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidin-4-amine.
What is the SMILES notation for ethane;1-(3-ethylheptyl)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidin-4-amine?
The canonical SMILES for ethane;1-(3-ethylheptyl)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidin-4-amine is C=C(/C=C\C=C/C)NC1CCN(CCC(CC)CCCC)CC1.CC.
What is the InChIKey of ethane;1-(3-ethylheptyl)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidin-4-amine?
The InChIKey is PFUHXJPRFCGQQY-BZAMSIIESA-N. The full InChI is InChI=1S/C21H38N2.C2H6/c1-5-8-10-11-19(4)22-21-14-17-23(18-15-21)16-13-20(7-3)12-9-6-2;1-2/h5,8,10-11,20-22H,4,6-7,9,12-18H2,1-3H3;1-2H3/b8-5-,11-10-;.
What are the key properties of ethane;1-(3-ethylheptyl)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidin-4-amine?
ethane;1-(3-ethylheptyl)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidin-4-amine has a molecular weight of 348.62 g/mol, XLogP of 6.32, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-ethylheptyl)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidin-4-amine is sourced from PubChem (CID 142237000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).