1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine

C16H29NO — CID 70583339

IUPAC1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine
SMILESCCCN(CCC)C1(OC(C)CC)C=CC=CC1
InChIInChI=1S/C16H29NO/c1-5-13-17(14-6-2)16(18-15(4)7-3)11-9-8-10-12-16/h8-11,15H,5-7,12-14H2,1-4H3
InChIKeyZSFBRVVCVBKWNK-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.14
Rot. Bonds8

About 1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine

1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine (PubChem CID 70583339) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine
PubChem CID70583339
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine
SMILESCCCN(CCC)C1(OC(C)CC)C=CC=CC1
InChIInChI=1S/C16H29NO/c1-5-13-17(14-6-2)16(18-15(4)7-3)11-9-8-10-12-16/h8-11,15H,5-7,12-14H2,1-4H3
InChIKeyZSFBRVVCVBKWNK-UHFFFAOYSA-N
XLogP4.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine (CID 70583339) is 1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine is CCCN(CCC)C1(OC(C)CC)C=CC=CC1.
What is the InChIKey of 1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine?
The InChIKey is ZSFBRVVCVBKWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-5-13-17(14-6-2)16(18-15(4)7-3)11-9-8-10-12-16/h8-11,15H,5-7,12-14H2,1-4H3.
What are the key properties of 1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine?
1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine has a molecular weight of 251.41 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70583339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).