1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine

C18H41N3 — CID 102997720

IUPAC1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine
SMILESCCN(CC)CCCN(CC)C(C)CCCNC(C)(C)C
InChIInChI=1S/C18H41N3/c1-8-20(9-2)15-12-16-21(10-3)17(4)13-11-14-19-18(5,6)7/h17,19H,8-16H2,1-7H3
InChIKeyYFAPYNQOGLDGHI-UHFFFAOYSA-N
MW299.55 g/mol
LogP3.60
Rot. Bonds12

About 1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine

1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine (PubChem CID 102997720) has the molecular formula C18H41N3 and a molecular weight of 299.55 g/mol. Its IUPAC name is 1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine
PubChem CID102997720
Molecular FormulaC18H41N3
Molecular Weight299.55 g/mol
Exact Mass299.33
IUPAC Name1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine
SMILESCCN(CC)CCCN(CC)C(C)CCCNC(C)(C)C
InChIInChI=1S/C18H41N3/c1-8-20(9-2)15-12-16-21(10-3)17(4)13-11-14-19-18(5,6)7/h17,19H,8-16H2,1-7H3
InChIKeyYFAPYNQOGLDGHI-UHFFFAOYSA-N
XLogP3.60
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 62420127
1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine
CID 62426971
1-N-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-propylpentane-1,4-diamine
CID 62436896
N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen
CID 142350039
1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62423187
N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine
CID 62422518
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine
CID 102992527
N-tert-butyl-N',N'-dipropylpropane-1,3-diamine
CID 60851501
1-[2-(tert-butylamino)ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 111759751
N-tert-butyl-N',N'-dibutylbutane-1,4-diamine
CID 62418469
3-N-butyl-1-N,3-N-diethylbutane-1,3-diamine
CID 62425173
3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine
CID 102992540

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine?
The IUPAC name of 1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine (CID 102997720) is 1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine.
What is the SMILES notation for 1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine?
The canonical SMILES for 1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine is CCN(CC)CCCN(CC)C(C)CCCNC(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine?
The InChIKey is YFAPYNQOGLDGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41N3/c1-8-20(9-2)15-12-16-21(10-3)17(4)13-11-14-19-18(5,6)7/h17,19H,8-16H2,1-7H3.
What are the key properties of 1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine?
1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine has a molecular weight of 299.55 g/mol, XLogP of 3.60, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine is sourced from PubChem (CID 102997720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).