6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine

C16H25NO — CID 115492942

IUPAC6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
SMILESCCCCc1ccc2c(c1)C(NC)CC(C)(C)O2
InChIInChI=1S/C16H25NO/c1-5-6-7-12-8-9-15-13(10-12)14(17-4)11-16(2,3)18-15/h8-10,14,17H,5-7,11H2,1-4H3
InChIKeyKLVXRIXFOIDUKR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.85
Rot. Bonds4

About 6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine

6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine (PubChem CID 115492942) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
PubChem CID115492942
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
SMILESCCCCc1ccc2c(c1)C(NC)CC(C)(C)O2
InChIInChI=1S/C16H25NO/c1-5-6-7-12-8-9-15-13(10-12)14(17-4)11-16(2,3)18-15/h8-10,14,17H,5-7,11H2,1-4H3
InChIKeyKLVXRIXFOIDUKR-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82461812
N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 62549578
N,2,2-trimethyl-3,4,6,7,8,9-hexahydrobenzo[g]chromen-4-amine
CID 64696866
7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 79982958
N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
CID 82461986
5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 115492937
(4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 42220642
6-ethoxy-N-hexyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82461979
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
7-butyl-N-ethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 113322711
7-butyl-N-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 113322712
7-ethyl-N,3,3-trimethyl-2,4-dihydro-1H-naphthalen-1-amine
CID 84622702

Frequently Asked Questions

What is the IUPAC name of 6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine (CID 115492942) is 6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine is CCCCc1ccc2c(c1)C(NC)CC(C)(C)O2.
What is the InChIKey of 6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is KLVXRIXFOIDUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-6-7-12-8-9-15-13(10-12)14(17-4)11-16(2,3)18-15/h8-10,14,17H,5-7,11H2,1-4H3.
What are the key properties of 6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 247.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-N,2,2-trimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 115492942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).