(3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine

C14H26NP — CID 144813242

IUPAC(3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(=C)P(CC)C(C)(C)C)N(C)C
InChIInChI=1S/C14H26NP/c1-9-16(14(4,5)6)13(3)11-10-12(2)15(7)8/h10-11H,2-3,9H2,1,4-8H3/b11-10-
InChIKeyABPNLLTYFKBFMF-KHPPLWFESA-N
MW239.34 g/mol
LogP4.43
Rot. Bonds5

About (3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine

(3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine (PubChem CID 144813242) has the molecular formula C14H26NP and a molecular weight of 239.34 g/mol. Its IUPAC name is (3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine
PubChem CID144813242
Molecular FormulaC14H26NP
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name(3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(=C)P(CC)C(C)(C)C)N(C)C
InChIInChI=1S/C14H26NP/c1-9-16(14(4,5)6)13(3)11-10-12(2)15(7)8/h10-11H,2-3,9H2,1,4-8H3/b11-10-
InChIKeyABPNLLTYFKBFMF-KHPPLWFESA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine
CID 166982153
(3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine
CID 134313131
(2Z)-4-(dimethylamino)penta-2,4-dienal
CID 45087254
(3Z)-N,N-diethyl-5-methylidenehepta-1,3-dien-2-amine
CID 142937124
4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine
CID 123366460
N-ethyl-N-methylbuta-1,3-dien-2-amine
CID 123199652
(2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-dien-2-amine
CID 143600462
(3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine
CID 155240504
2-(iodomethyl)-N,N-dimethylprop-2-enamide
CID 11843066
(3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
CID 144717288
2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienal
CID 123169472
(Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine
CID 126725525

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine (CID 144813242) is (3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine is C=C(/C=C\C(=C)P(CC)C(C)(C)C)N(C)C.
What is the InChIKey of (3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine?
The InChIKey is ABPNLLTYFKBFMF-KHPPLWFESA-N. The full InChI is InChI=1S/C14H26NP/c1-9-16(14(4,5)6)13(3)11-10-12(2)15(7)8/h10-11H,2-3,9H2,1,4-8H3/b11-10-.
What are the key properties of (3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine?
(3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine has a molecular weight of 239.34 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 144813242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).