N-(cyclopropylmethyl)-4-[(2E)-2,3-dimethylpenta-2,4-dienyl]-4-ethyl-3,5,6-trimethyl-2,3-dihydro-1H-naphthalen-2-amine

C26H39N — CID 146228669

IUPACN-(cyclopropylmethyl)-4-[(2E)-2,3-dimethylpenta-2,4-dienyl]-4-ethyl-3,5,6-trimethyl-2,3-dihydro-1H-naphthalen-2-amine
SMILESC=C/C(C)=C(\C)CC1(CC)c2c(ccc(C)c2C)CC(NCC2CC2)C1C
InChIInChI=1S/C26H39N/c1-8-17(3)19(5)15-26(9-2)21(7)24(27-16-22-11-12-22)14-23-13-10-18(4)20(6)25(23)26/h8,10,13,21-22,24,27H,1,9,11-12,14-16H2,2-7H3/b19-17+
InChIKeyKWLVYLOWIKXRTB-HTXNQAPBSA-N
MW365.61 g/mol
LogP6.42
Rot. Bonds7

About N-(cyclopropylmethyl)-4-[(2E)-2,3-dimethylpenta-2,4-dienyl]-4-ethyl-3,5,6-trimethyl-2,3-dihydro-1H-naphthalen-2-amine

N-(cyclopropylmethyl)-4-[(2E)-2,3-dimethylpenta-2,4-dienyl]-4-ethyl-3,5,6-trimethyl-2,3-dihydro-1H-naphthalen-2-amine (PubChem CID 146228669) has the molecular formula C26H39N and a molecular weight of 365.61 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[(2E)-2,3-dimethylpenta-2,4-dienyl]-4-ethyl-3,5,6-trimethyl-2,3-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[(2E)-2,3-dimethylpenta-2,4-dienyl]-4-ethyl-3,5,6-trimethyl-2,3-dihydro-1H-naphthalen-2-amine
PubChem CID146228669
Molecular FormulaC26H39N
Molecular Weight365.61 g/mol
Exact Mass365.31
IUPAC NameN-(cyclopropylmethyl)-4-[(2E)-2,3-dimethylpenta-2,4-dienyl]-4-ethyl-3,5,6-trimethyl-2,3-dihydro-1H-naphthalen-2-amine
SMILESC=C/C(C)=C(\C)CC1(CC)c2c(ccc(C)c2C)CC(NCC2CC2)C1C
InChIInChI=1S/C26H39N/c1-8-17(3)19(5)15-26(9-2)21(7)24(27-16-22-11-12-22)14-23-13-10-18(4)20(6)25(23)26/h8,10,13,21-22,24,27H,1,9,11-12,14-16H2,2-7H3/b19-17+
InChIKeyKWLVYLOWIKXRTB-HTXNQAPBSA-N
XLogP6.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.61
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[(2E)-2,3-dimethylpenta-2,4-dienyl]-4-ethyl-3,5,6-trimethyl-2,3-dihydro-1H-naphthalen-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-[(2E)-2,3-dimethylpenta-2,4-dienyl]-4-ethyl-3,5,6-trimethyl-2,3-dihydro-1H-naphthalen-2-amine (CID 146228669) is N-(cyclopropylmethyl)-4-[(2E)-2,3-dimethylpenta-2,4-dienyl]-4-ethyl-3,5,6-trimethyl-2,3-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[(2E)-2,3-dimethylpenta-2,4-dienyl]-4-ethyl-3,5,6-trimethyl-2,3-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-[(2E)-2,3-dimethylpenta-2,4-dienyl]-4-ethyl-3,5,6-trimethyl-2,3-dihydro-1H-naphthalen-2-amine is C=C/C(C)=C(\C)CC1(CC)c2c(ccc(C)c2C)CC(NCC2CC2)C1C.
What is the InChIKey of N-(cyclopropylmethyl)-4-[(2E)-2,3-dimethylpenta-2,4-dienyl]-4-ethyl-3,5,6-trimethyl-2,3-dihydro-1H-naphthalen-2-amine?
The InChIKey is KWLVYLOWIKXRTB-HTXNQAPBSA-N. The full InChI is InChI=1S/C26H39N/c1-8-17(3)19(5)15-26(9-2)21(7)24(27-16-22-11-12-22)14-23-13-10-18(4)20(6)25(23)26/h8,10,13,21-22,24,27H,1,9,11-12,14-16H2,2-7H3/b19-17+.
What are the key properties of N-(cyclopropylmethyl)-4-[(2E)-2,3-dimethylpenta-2,4-dienyl]-4-ethyl-3,5,6-trimethyl-2,3-dihydro-1H-naphthalen-2-amine?
N-(cyclopropylmethyl)-4-[(2E)-2,3-dimethylpenta-2,4-dienyl]-4-ethyl-3,5,6-trimethyl-2,3-dihydro-1H-naphthalen-2-amine has a molecular weight of 365.61 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[(2E)-2,3-dimethylpenta-2,4-dienyl]-4-ethyl-3,5,6-trimethyl-2,3-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 146228669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).