N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine

C19H28N2 — CID 60851673

IUPACN'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine
SMILESCCN(CCCCNC(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H28N2/c1-4-21(15-8-7-14-20-16(2)3)19-13-9-11-17-10-5-6-12-18(17)19/h5-6,9-13,16,20H,4,7-8,14-15H2,1-3H3
InChIKeyOGUVANLNZPFADL-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.44
Rot. Bonds8

About N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine

N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine (PubChem CID 60851673) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine
PubChem CID60851673
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine
SMILESCCN(CCCCNC(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H28N2/c1-4-21(15-8-7-14-20-16(2)3)19-13-9-11-17-10-5-6-12-18(17)19/h5-6,9-13,16,20H,4,7-8,14-15H2,1-3H3
InChIKeyOGUVANLNZPFADL-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-(2-methylpropyl)-N'-naphthalen-1-ylpropane-1,3-diamine
CID 63467286
N,N,N'-triethyl-N'-naphthalen-1-ylethane-1,2-diamine
CID 3028375
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 60843081
2-N-ethyl-2-N-naphthalen-1-yl-1-N-propan-2-ylpropane-1,2-diamine
CID 62424029
N'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine
CID 55085520
6-[ethyl(naphthalen-1-yl)amino]hexan-3-one
CID 106801134
(2S)-1-[ethyl(naphthalen-1-yl)amino]propan-2-ol
CID 103934919
N'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine
CID 62574394
N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine
CID 46896769
N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine
CID 55069248
N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine
CID 64996339
N-(2-azidoethyl)-N-ethylnaphthalen-1-amine
CID 63462242

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine (CID 60851673) is N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine is CCN(CCCCNC(C)C)c1cccc2ccccc12.
What is the InChIKey of N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine?
The InChIKey is OGUVANLNZPFADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-4-21(15-8-7-14-20-16(2)3)19-13-9-11-17-10-5-6-12-18(17)19/h5-6,9-13,16,20H,4,7-8,14-15H2,1-3H3.
What are the key properties of N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine?
N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine has a molecular weight of 284.45 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 60851673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).