4-N-(6-methylheptan-2-yl)benzene-1,4-diamine

C14H24N2 — CID 61469616

IUPAC4-N-(6-methylheptan-2-yl)benzene-1,4-diamine
SMILESCC(C)CCCC(C)Nc1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-11(2)5-4-6-12(3)16-14-9-7-13(15)8-10-14/h7-12,16H,4-6,15H2,1-3H3
InChIKeyXPIDCMIKCNTCPX-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.90
Rot. Bonds6

About 4-N-(6-methylheptan-2-yl)benzene-1,4-diamine

4-N-(6-methylheptan-2-yl)benzene-1,4-diamine (PubChem CID 61469616) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-N-(6-methylheptan-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-methylheptan-2-yl)benzene-1,4-diamine
PubChem CID61469616
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-N-(6-methylheptan-2-yl)benzene-1,4-diamine
SMILESCC(C)CCCC(C)Nc1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-11(2)5-4-6-12(3)16-14-9-7-13(15)8-10-14/h7-12,16H,4-6,15H2,1-3H3
InChIKeyXPIDCMIKCNTCPX-UHFFFAOYSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-methylheptan-2-yl)pyridin-4-amine
CID 61472376
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine
CID 159136598
4-N-hex-5-en-2-ylbenzene-1,4-diamine
CID 70292909
4-N-(6-methylheptyl)benzene-1,4-diamine
CID 141141781
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
4-N-(5-methylhexan-2-yl)benzene-1,2,4-triamine
CID 106750847
N-hexan-2-yl-4-propan-2-ylaniline
CID 43760569
2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride
CID 119673337
N-(6-methylheptan-2-yl)-4-propylsulfonylaniline
CID 63540868
3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80740319
1-(4-aminophenyl)-5-methylhexan-1-ol
CID 106695506
3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide
CID 61469316

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-methylheptan-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(6-methylheptan-2-yl)benzene-1,4-diamine (CID 61469616) is 4-N-(6-methylheptan-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(6-methylheptan-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(6-methylheptan-2-yl)benzene-1,4-diamine is CC(C)CCCC(C)Nc1ccc(N)cc1.
What is the InChIKey of 4-N-(6-methylheptan-2-yl)benzene-1,4-diamine?
The InChIKey is XPIDCMIKCNTCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(2)5-4-6-12(3)16-14-9-7-13(15)8-10-14/h7-12,16H,4-6,15H2,1-3H3.
What are the key properties of 4-N-(6-methylheptan-2-yl)benzene-1,4-diamine?
4-N-(6-methylheptan-2-yl)benzene-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methylheptan-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 61469616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).