3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine

C14H30N2 — CID 79409276

IUPAC3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCC(C)NCC(C)C(C)N(C)CC1CCC1
InChIInChI=1S/C14H30N2/c1-11(2)15-9-12(3)13(4)16(5)10-14-7-6-8-14/h11-15H,6-10H2,1-5H3
InChIKeyVGFXKHQCIMMMRU-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds7

About 3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine

3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine (PubChem CID 79409276) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
PubChem CID79409276
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCC(C)NCC(C)C(C)N(C)CC1CCC1
InChIInChI=1S/C14H30N2/c1-11(2)15-9-12(3)13(4)16(5)10-14-7-6-8-14/h11-15H,6-10H2,1-5H3
InChIKeyVGFXKHQCIMMMRU-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine (CID 79409276) is 3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine is CC(C)NCC(C)C(C)N(C)CC1CCC1.
What is the InChIKey of 3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is VGFXKHQCIMMMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11(2)15-9-12(3)13(4)16(5)10-14-7-6-8-14/h11-15H,6-10H2,1-5H3.
What are the key properties of 3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine?
3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 79409276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).