N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine

C17H30N2 — CID 2846550

IUPACN',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine
SMILESCCN(CC)CCN(C)C(C)CCc1ccccc1
InChIInChI=1S/C17H30N2/c1-5-19(6-2)15-14-18(4)16(3)12-13-17-10-8-7-9-11-17/h7-11,16H,5-6,12-15H2,1-4H3
InChIKeyUVPMHKWYOHYMCI-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.28
Rot. Bonds9

About N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine

N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine (PubChem CID 2846550) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine
PubChem CID2846550
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine
SMILESCCN(CC)CCN(C)C(C)CCc1ccccc1
InChIInChI=1S/C17H30N2/c1-5-19(6-2)15-14-18(4)16(3)12-13-17-10-8-7-9-11-17/h7-11,16H,5-6,12-15H2,1-4H3
InChIKeyUVPMHKWYOHYMCI-UHFFFAOYSA-N
XLogP3.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride
CID 158803245
N-methyl-4-phenyl-N-propylbutan-2-amine
CID 90881559
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine
CID 63267619
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 2059221
1-(diethylamino)-6-phenylhexan-3-ol
CID 79086968
3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine
CID 63223604
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine (CID 2846550) is N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine is CCN(CC)CCN(C)C(C)CCc1ccccc1.
What is the InChIKey of N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is UVPMHKWYOHYMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-19(6-2)15-14-18(4)16(3)12-13-17-10-8-7-9-11-17/h7-11,16H,5-6,12-15H2,1-4H3.
What are the key properties of N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine?
N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 2846550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).