N,N-dimethyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine

C19H28N2 — CID 53431573

IUPACN,N-dimethyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine
SMILESCC(C)C(CCN)(CN(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H28N2/c1-15(2)19(12-13-20,14-21(3)4)18-11-7-9-16-8-5-6-10-17(16)18/h5-11,15H,12-14,20H2,1-4H3
InChIKeyZFJPQQQESCMOCW-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.64
Rot. Bonds6

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

N,N-dimethyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine (PubChem CID 53431573) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N,N-dimethyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN,N-dimethyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine
PubChem CID53431573
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN,N-dimethyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine
SMILESCC(C)C(CCN)(CN(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H28N2/c1-15(2)19(12-13-20,14-21(3)4)18-11-7-9-16-8-5-6-10-17(16)18/h5-11,15H,12-14,20H2,1-4H3
InChIKeyZFJPQQQESCMOCW-UHFFFAOYSA-N
XLogP3.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine
CID 125480014
(2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125480001
(2R)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125480002
(2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125479768
N-ethyl-2-methyl-3-naphthalen-1-ylpentan-3-amine
CID 123398082
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol
CID 66089361
1,1-difluoro-1-naphthalen-1-ylpropan-2-amine
CID 116839348
3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine
CID 79830054
6-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylhexanoic acid
CID 23153
3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine
CID 22486889
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N,N-dimethyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine (CID 53431573) is N,N-dimethyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N,N-dimethyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N,N-dimethyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine is CC(C)C(CCN)(CN(C)C)c1cccc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine?
The InChIKey is ZFJPQQQESCMOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-15(2)19(12-13-20,14-21(3)4)18-11-7-9-16-8-5-6-10-17(16)18/h5-11,15H,12-14,20H2,1-4H3.
What are the key properties of N,N-dimethyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine?
N,N-dimethyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine has a molecular weight of 284.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 53431573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).