N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine

C16H28N2 — CID 54806910

IUPACN-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNC(C)c1ccccc1
InChIInChI=1S/C16H28N2/c1-4-12-18(13-5-2)14-11-17-15(3)16-9-7-6-8-10-16/h6-10,15,17H,4-5,11-14H2,1-3H3
InChIKeyQXZFBOYLMDGKBE-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.46
Rot. Bonds9

About N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine

N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine (PubChem CID 54806910) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine
PubChem CID54806910
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNC(C)c1ccccc1
InChIInChI=1S/C16H28N2/c1-4-12-18(13-5-2)14-11-17-15(3)16-9-7-6-8-10-16/h6-10,15,17H,4-5,11-14H2,1-3H3
InChIKeyQXZFBOYLMDGKBE-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N'-ethyl-N'-phenyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 54806369
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile
CID 103921686
N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787824
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
N'-cyclopropyl-N'-methyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 62975342
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate
CID 107246051
3-phenyl-N-(1-phenylethyl)hexan-1-amine
CID 139750954
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine?
The IUPAC name of N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine (CID 54806910) is N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine.
What is the SMILES notation for N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine?
The canonical SMILES for N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine is CCCN(CCC)CCNC(C)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine?
The InChIKey is QXZFBOYLMDGKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-12-18(13-5-2)14-11-17-15(3)16-9-7-6-8-10-16/h6-10,15,17H,4-5,11-14H2,1-3H3.
What are the key properties of N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine?
N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine is sourced from PubChem (CID 54806910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).