N-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine

C18H32N2 — CID 143415719

IUPACN-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine
SMILESCCCN(CCC)CCCCNc1ccc(CC)cc1
InChIInChI=1S/C18H32N2/c1-4-14-20(15-5-2)16-8-7-13-19-18-11-9-17(6-3)10-12-18/h9-12,19H,4-8,13-16H2,1-3H3
InChIKeyBLZTUHQGGQIKQH-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.56
Rot. Bonds11

About N-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine

N-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine (PubChem CID 143415719) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine
PubChem CID143415719
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine
SMILESCCCN(CCC)CCCCNc1ccc(CC)cc1
InChIInChI=1S/C18H32N2/c1-4-14-20(15-5-2)16-8-7-13-19-18-11-9-17(6-3)10-12-18/h9-12,19H,4-8,13-16H2,1-3H3
InChIKeyBLZTUHQGGQIKQH-UHFFFAOYSA-N
XLogP4.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 81106557
N,4-diethylaniline
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CID 18622915
4-(chloromethyl)-N-hexylaniline
CID 65025803
2-[4-(nonylamino)phenyl]acetonitrile
CID 63491741
N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine
CID 107444584
1-N-butyl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 18322589
N-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine
CID 54809461
4-(2-chloroethyl)-N-pentylaniline
CID 65023933
N-[3-(4-ethylphenoxy)propyl]-4-methylaniline
CID 82096367
N'-[4-(diethylaminomethyl)phenyl]hexane-1,6-diamine
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6-(4-propylanilino)hexan-1-ol
CID 103868001

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine?
The IUPAC name of N-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine (CID 143415719) is N-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine.
What is the SMILES notation for N-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine?
The canonical SMILES for N-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine is CCCN(CCC)CCCCNc1ccc(CC)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine?
The InChIKey is BLZTUHQGGQIKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-4-14-20(15-5-2)16-8-7-13-19-18-11-9-17(6-3)10-12-18/h9-12,19H,4-8,13-16H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine?
N-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.56, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine is sourced from PubChem (CID 143415719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).