(Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine

C19H29NO — CID 104772466

IUPAC(Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine
SMILESC/C(=C/CCNC(C)(C)C)CC1CCOc2ccccc21
InChIInChI=1S/C19H29NO/c1-15(8-7-12-20-19(2,3)4)14-16-11-13-21-18-10-6-5-9-17(16)18/h5-6,8-10,16,20H,7,11-14H2,1-4H3/b15-8-
InChIKeyRJFBXOKORMARLF-NVNXTCNLSA-N
MW287.45 g/mol
LogP4.67
Rot. Bonds5

About (Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine

(Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine (PubChem CID 104772466) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine
PubChem CID104772466
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine
SMILESC/C(=C/CCNC(C)(C)C)CC1CCOc2ccccc21
InChIInChI=1S/C19H29NO/c1-15(8-7-12-20-19(2,3)4)14-16-11-13-21-18-10-6-5-9-17(16)18/h5-6,8-10,16,20H,7,11-14H2,1-4H3/b15-8-
InChIKeyRJFBXOKORMARLF-NVNXTCNLSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 104772468
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 79230229
3-(3,4-dihydro-2H-chromen-4-yl)propanal
CID 104771097
1-(3,4-dihydro-2H-chromen-4-yl)-3-(ethylamino)-2-methylpropan-2-ol
CID 113451561
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
3-(aminomethyl)-1-(3,4-dihydro-2H-chromen-4-yl)-3-ethylpentan-2-one
CID 116603807
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one
CID 116747190
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine?
The IUPAC name of (Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine (CID 104772466) is (Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for (Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine?
The canonical SMILES for (Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine is C/C(=C/CCNC(C)(C)C)CC1CCOc2ccccc21.
What is the InChIKey of (Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine?
The InChIKey is RJFBXOKORMARLF-NVNXTCNLSA-N. The full InChI is InChI=1S/C19H29NO/c1-15(8-7-12-20-19(2,3)4)14-16-11-13-21-18-10-6-5-9-17(16)18/h5-6,8-10,16,20H,7,11-14H2,1-4H3/b15-8-.
What are the key properties of (Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine?
(Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 104772466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).