1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine

C10H24N2 — CID 81011772

IUPAC1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine
SMILESCCNCC(C)C(C)N(C)CC
InChIInChI=1S/C10H24N2/c1-6-11-8-9(3)10(4)12(5)7-2/h9-11H,6-8H2,1-5H3
InChIKeyRZDUYUBPUBNSGV-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.57
Rot. Bonds6

About 1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine

1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine (PubChem CID 81011772) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine
PubChem CID81011772
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine
SMILESCCNCC(C)C(C)N(C)CC
InChIInChI=1S/C10H24N2/c1-6-11-8-9(3)10(4)12(5)7-2/h9-11H,6-8H2,1-5H3
InChIKeyRZDUYUBPUBNSGV-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N,3-dimethylpentan-2-amine
CID 89053898
3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine
CID 81011652
1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine
CID 81012403
1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine
CID 81019237
1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine
CID 81012095
1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 81012833
(2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine
CID 97170093
1-N,2-N,2-N-triethylpropane-1,2-diamine
CID 18364429
3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine
CID 81019609
3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine
CID 79408443
3-N,2-dimethyl-3-N-(4-methylpentan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81019594
3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine
CID 81019612

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine?
The IUPAC name of 1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine (CID 81011772) is 1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine?
The canonical SMILES for 1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine is CCNCC(C)C(C)N(C)CC.
What is the InChIKey of 1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine?
The InChIKey is RZDUYUBPUBNSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-6-11-8-9(3)10(4)12(5)7-2/h9-11H,6-8H2,1-5H3.
What are the key properties of 1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine?
1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine is sourced from PubChem (CID 81011772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).