N-heptan-3-yl-3-propan-2-ylaniline

C16H27N — CID 63946892

IUPACN-heptan-3-yl-3-propan-2-ylaniline
SMILESCCCCC(CC)Nc1cccc(C(C)C)c1
InChIInChI=1S/C16H27N/c1-5-7-10-15(6-2)17-16-11-8-9-14(12-16)13(3)4/h8-9,11-13,15,17H,5-7,10H2,1-4H3
InChIKeyHHZVCDHHJAKKMQ-UHFFFAOYSA-N
MW233.40 g/mol
LogP5.19
Rot. Bonds7

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

N-heptan-3-yl-3-propan-2-ylaniline (PubChem CID 63946892) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-heptan-3-yl-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-heptan-3-yl-3-propan-2-ylaniline
PubChem CID63946892
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-heptan-3-yl-3-propan-2-ylaniline
SMILESCCCCC(CC)Nc1cccc(C(C)C)c1
InChIInChI=1S/C16H27N/c1-5-7-10-15(6-2)17-16-11-8-9-14(12-16)13(3)4/h8-9,11-13,15,17H,5-7,10H2,1-4H3
InChIKeyHHZVCDHHJAKKMQ-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-3-propan-2-ylaniline
CID 43768976
N-(5-methylheptan-3-yl)-3-propan-2-ylaniline
CID 43097145
3-(heptan-3-ylamino)-N-methylbenzamide
CID 63944894
N-heptan-3-yl-3-pyrrol-1-ylaniline
CID 63944364
3-(heptan-3-ylamino)-N-propan-2-ylbenzamide
CID 63945899
2-(3-propan-2-ylanilino)butanamide
CID 62900215
methyl N-[3-(heptan-3-ylamino)phenyl]carbamate
CID 63945728
N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
CID 63945913
N-undecan-3-ylaniline
CID 171755615
N-(1-cyclopropylpropyl)-3-propan-2-ylaniline
CID 64918380
2-N-(3-propan-2-ylphenyl)propane-1,2-diamine
CID 103387503
N-heptan-3-yl-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 63945706

Frequently Asked Questions

What is the IUPAC name of N-heptan-3-yl-3-propan-2-ylaniline?
The IUPAC name of N-heptan-3-yl-3-propan-2-ylaniline (CID 63946892) is N-heptan-3-yl-3-propan-2-ylaniline.
What is the SMILES notation for N-heptan-3-yl-3-propan-2-ylaniline?
The canonical SMILES for N-heptan-3-yl-3-propan-2-ylaniline is CCCCC(CC)Nc1cccc(C(C)C)c1.
What is the InChIKey of N-heptan-3-yl-3-propan-2-ylaniline?
The InChIKey is HHZVCDHHJAKKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-7-10-15(6-2)17-16-11-8-9-14(12-16)13(3)4/h8-9,11-13,15,17H,5-7,10H2,1-4H3.
What are the key properties of N-heptan-3-yl-3-propan-2-ylaniline?
N-heptan-3-yl-3-propan-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 N-heptan-3-yl-3-propan-2-ylaniline is sourced from PubChem (CID 63946892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).