4-butan-2-yl-N-hexan-2-ylaniline

C16H27N — CID 43780445

IUPAC4-butan-2-yl-N-hexan-2-ylaniline
SMILESCCCCC(C)Nc1ccc(C(C)CC)cc1
InChIInChI=1S/C16H27N/c1-5-7-8-14(4)17-16-11-9-15(10-12-16)13(3)6-2/h9-14,17H,5-8H2,1-4H3
InChIKeyNFAOXDZAAHAXEM-UHFFFAOYSA-N
MW233.40 g/mol
LogP5.19
Rot. Bonds7

About 4-butan-2-yl-N-hexan-2-ylaniline

4-butan-2-yl-N-hexan-2-ylaniline (PubChem CID 43780445) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-butan-2-yl-N-hexan-2-ylaniline.

Molecular Properties

Compound Name4-butan-2-yl-N-hexan-2-ylaniline
PubChem CID43780445
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-butan-2-yl-N-hexan-2-ylaniline
SMILESCCCCC(C)Nc1ccc(C(C)CC)cc1
InChIInChI=1S/C16H27N/c1-5-7-8-14(4)17-16-11-9-15(10-12-16)13(3)6-2/h9-14,17H,5-8H2,1-4H3
InChIKeyNFAOXDZAAHAXEM-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-hexan-2-yl-4-propan-2-ylaniline
CID 43760569
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
N-hexan-2-yl-4-[3-[4-(hexan-2-ylamino)phenoxy]propoxy]aniline
CID 54014240
N-hexan-2-yl-4-[[4-(hexan-2-ylamino)phenoxy]methoxy]aniline
CID 161243666
4-(hexan-2-ylamino)-N-methylbenzenesulfonamide
CID 43790312
N-hexan-2-yl-4-propoxyaniline
CID 21311820
1-[4-(hexan-2-ylamino)phenyl]ethanone
CID 114468208
1-butan-2-yl-4-octan-4-ylbenzene
CID 123736908
4-butan-2-yl-N-(2-methylpentan-3-yl)aniline
CID 43780446
4-(hexan-2-ylamino)benzamide
CID 43760421
2-[4-(hexan-2-ylamino)phenyl]acetonitrile
CID 43786419
1-[4-(hexan-2-ylamino)phenyl]propan-1-one
CID 114066677

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-hexan-2-ylaniline?
The IUPAC name of 4-butan-2-yl-N-hexan-2-ylaniline (CID 43780445) is 4-butan-2-yl-N-hexan-2-ylaniline.
What is the SMILES notation for 4-butan-2-yl-N-hexan-2-ylaniline?
The canonical SMILES for 4-butan-2-yl-N-hexan-2-ylaniline is CCCCC(C)Nc1ccc(C(C)CC)cc1.
What is the InChIKey of 4-butan-2-yl-N-hexan-2-ylaniline?
The InChIKey is NFAOXDZAAHAXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-7-8-14(4)17-16-11-9-15(10-12-16)13(3)6-2/h9-14,17H,5-8H2,1-4H3.
What are the key properties of 4-butan-2-yl-N-hexan-2-ylaniline?
4-butan-2-yl-N-hexan-2-ylaniline has a molecular weight of 233.40 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-hexan-2-ylaniline is sourced from PubChem (CID 43780445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).