N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine

C16H26N2 — CID 107906481

IUPACN'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
SMILESC=CC(C)NCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C16H26N2/c1-5-14(4)17-13-16(18(6-2)7-3)15-11-9-8-10-12-15/h5,8-12,14,16-17H,1,6-7,13H2,2-4H3
InChIKeyUPMGHDSIDZIJPN-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.23
Rot. Bonds8

About N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine

N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine (PubChem CID 107906481) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
PubChem CID107906481
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
SMILESC=CC(C)NCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C16H26N2/c1-5-14(4)17-13-16(18(6-2)7-3)15-11-9-8-10-12-15/h5,8-12,14,16-17H,1,6-7,13H2,2-4H3
InChIKeyUPMGHDSIDZIJPN-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 113482426
1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine
CID 62439187
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43192161
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62422185
N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62424987
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine
CID 110981969
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile
CID 43199335
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide
CID 61148338
2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid
CID 103235339

Frequently Asked Questions

What is the IUPAC name of N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine (CID 107906481) is N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine is C=CC(C)NCC(c1ccccc1)N(CC)CC.
What is the InChIKey of N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine?
The InChIKey is UPMGHDSIDZIJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-14(4)17-13-16(18(6-2)7-3)15-11-9-8-10-12-15/h5,8-12,14,16-17H,1,6-7,13H2,2-4H3.
What are the key properties of N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine?
N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 107906481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).