N-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine

C20H45N3 — CID 170213540

IUPACN-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine
SMILESCC(C)N(CCCN(C)CCCN(C(C)C)C(C)(C)C)C(C)C
InChIInChI=1S/C20H45N3/c1-17(2)22(18(3)4)15-11-13-21(10)14-12-16-23(19(5)6)20(7,8)9/h17-19H,11-16H2,1-10H3
InChIKeyFSWZJNBNNSJJLP-UHFFFAOYSA-N
MW327.60 g/mol
LogP4.33
Rot. Bonds11

About N-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine

N-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine (PubChem CID 170213540) has the molecular formula C20H45N3 and a molecular weight of 327.60 g/mol. Its IUPAC name is N-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine
PubChem CID170213540
Molecular FormulaC20H45N3
Molecular Weight327.60 g/mol
Exact Mass327.36
IUPAC NameN-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine
SMILESCC(C)N(CCCN(C)CCCN(C(C)C)C(C)(C)C)C(C)C
InChIInChI=1S/C20H45N3/c1-17(2)22(18(3)4)15-11-13-21(10)14-12-16-23(19(5)6)20(7,8)9/h17-19H,11-16H2,1-10H3
InChIKeyFSWZJNBNNSJJLP-UHFFFAOYSA-N
XLogP4.33
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.60
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N-propan-2-ylpentan-1-amine
CID 166958417
2-[tert-butyl(propan-2-yl)amino]ethanol
CID 54545866
2-[3-[di(propan-2-yl)amino]propyl-methylamino]ethanethioic S-acid
CID 87471392
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19889984
N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 178016346
N,N-di(propan-2-yl)heptadecan-1-amine
CID 138744995
N',N'-di(propan-2-yl)butane-1,4-diamine
CID 15365351
6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one
CID 15317293
N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 58105681
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 547219

Frequently Asked Questions

What is the IUPAC name of N-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine?
The IUPAC name of N-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine (CID 170213540) is N-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine?
The canonical SMILES for N-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine is CC(C)N(CCCN(C)CCCN(C(C)C)C(C)(C)C)C(C)C.
What is the InChIKey of N-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine?
The InChIKey is FSWZJNBNNSJJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45N3/c1-17(2)22(18(3)4)15-11-13-21(10)14-12-16-23(19(5)6)20(7,8)9/h17-19H,11-16H2,1-10H3.
What are the key properties of N-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine?
N-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine has a molecular weight of 327.60 g/mol, XLogP of 4.33, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 170213540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).