N-hexan-2-yl-3-propan-2-ylaniline

C15H25N — CID 43768976

IUPACN-hexan-2-yl-3-propan-2-ylaniline
SMILESCCCCC(C)Nc1cccc(C(C)C)c1
InChIInChI=1S/C15H25N/c1-5-6-8-13(4)16-15-10-7-9-14(11-15)12(2)3/h7,9-13,16H,5-6,8H2,1-4H3
InChIKeyKKAKNDPEYKVZMK-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.80
Rot. Bonds6

About N-hexan-2-yl-3-propan-2-ylaniline

N-hexan-2-yl-3-propan-2-ylaniline (PubChem CID 43768976) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-hexan-2-yl-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-hexan-2-yl-3-propan-2-ylaniline
PubChem CID43768976
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-hexan-2-yl-3-propan-2-ylaniline
SMILESCCCCC(C)Nc1cccc(C(C)C)c1
InChIInChI=1S/C15H25N/c1-5-6-8-13(4)16-15-10-7-9-14(11-15)12(2)3/h7,9-13,16H,5-6,8H2,1-4H3
InChIKeyKKAKNDPEYKVZMK-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-heptan-3-yl-3-propan-2-ylaniline
CID 63946892
N-hexan-2-yl-4-propan-2-ylaniline
CID 43760569
2-N-(3-propan-2-ylphenyl)propane-1,2-diamine
CID 103387503
3-ethynyl-N-hexan-2-ylaniline
CID 43755495
3-(heptan-2-ylamino)phenol
CID 43207062
N-hexan-2-yl-3-(methoxymethyl)aniline
CID 43778851
3-(octan-2-ylamino)phenol
CID 43130083
3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 43784811
3-[[(2S)-hexan-2-yl]amino]benzenecarboximidamide
CID 70081161
3-ethynyl-N-nonan-2-ylaniline
CID 43129671
N-heptan-2-yl-3-propoxyaniline
CID 43693607
N-(5-methylheptan-3-yl)-3-propan-2-ylaniline
CID 43097145

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-3-propan-2-ylaniline?
The IUPAC name of N-hexan-2-yl-3-propan-2-ylaniline (CID 43768976) is N-hexan-2-yl-3-propan-2-ylaniline.
What is the SMILES notation for N-hexan-2-yl-3-propan-2-ylaniline?
The canonical SMILES for N-hexan-2-yl-3-propan-2-ylaniline is CCCCC(C)Nc1cccc(C(C)C)c1.
What is the InChIKey of N-hexan-2-yl-3-propan-2-ylaniline?
The InChIKey is KKAKNDPEYKVZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-6-8-13(4)16-15-10-7-9-14(11-15)12(2)3/h7,9-13,16H,5-6,8H2,1-4H3.
What are the key properties of N-hexan-2-yl-3-propan-2-ylaniline?
N-hexan-2-yl-3-propan-2-ylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-3-propan-2-ylaniline is sourced from PubChem (CID 43768976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).