2-[amino(butylamino)methyl]-1,1-dibutylguanidine

C14H33N5 — CID 163966516

IUPAC2-[amino(butylamino)methyl]-1,1-dibutylguanidine
SMILESCCCCNC(N)N=C(N)N(CCCC)CCCC
InChIInChI=1S/C14H33N5/c1-4-7-10-17-13(15)18-14(16)19(11-8-5-2)12-9-6-3/h13,17H,4-12,15H2,1-3H3,(H2,16,18)
InChIKeySMGNLKBBHPBUPF-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.84
Rot. Bonds11

About 2-[amino(butylamino)methyl]-1,1-dibutylguanidine

2-[amino(butylamino)methyl]-1,1-dibutylguanidine (PubChem CID 163966516) has the molecular formula C14H33N5 and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-[amino(butylamino)methyl]-1,1-dibutylguanidine.

Molecular Properties

Compound Name2-[amino(butylamino)methyl]-1,1-dibutylguanidine
PubChem CID163966516
Molecular FormulaC14H33N5
Molecular Weight271.45 g/mol
Exact Mass271.27
IUPAC Name2-[amino(butylamino)methyl]-1,1-dibutylguanidine
SMILESCCCCNC(N)N=C(N)N(CCCC)CCCC
InChIInChI=1S/C14H33N5/c1-4-7-10-17-13(15)18-14(16)19(11-8-5-2)12-9-6-3/h13,17H,4-12,15H2,1-3H3,(H2,16,18)
InChIKeySMGNLKBBHPBUPF-UHFFFAOYSA-N
XLogP1.84
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-N-butylbutane-2,3-diamine
CID 148852356
1-N'-butylprop-2-ene-1,1-diamine
CID 130279895
2-N'-butylethane-1,1,2,2-tetramine
CID 175179037
1-N'-butylpropane-1,1-diamine
CID 22184083
1-butyl-1-ethyl-2-propylguanidine
CID 62360301
(2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide
CID 129308152
2-[butyl(butylcarbamoyl)amino]acetamide
CID 115585915
3-amino-1-butyl-1-ethyl-2-propan-2-ylguanidine
CID 104883418
1,1-dibutylthiourea;zinc
CID 175070562
(3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide
CID 43155922
(1S)-1-(butylamino)propan-1-ol
CID 153016894
2-(butylamino)butanamide
CID 62901736

Frequently Asked Questions

What is the IUPAC name of 2-[amino(butylamino)methyl]-1,1-dibutylguanidine?
The IUPAC name of 2-[amino(butylamino)methyl]-1,1-dibutylguanidine (CID 163966516) is 2-[amino(butylamino)methyl]-1,1-dibutylguanidine.
What is the SMILES notation for 2-[amino(butylamino)methyl]-1,1-dibutylguanidine?
The canonical SMILES for 2-[amino(butylamino)methyl]-1,1-dibutylguanidine is CCCCNC(N)N=C(N)N(CCCC)CCCC.
What is the InChIKey of 2-[amino(butylamino)methyl]-1,1-dibutylguanidine?
The InChIKey is SMGNLKBBHPBUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N5/c1-4-7-10-17-13(15)18-14(16)19(11-8-5-2)12-9-6-3/h13,17H,4-12,15H2,1-3H3,(H2,16,18).
What are the key properties of 2-[amino(butylamino)methyl]-1,1-dibutylguanidine?
2-[amino(butylamino)methyl]-1,1-dibutylguanidine has a molecular weight of 271.45 g/mol, XLogP of 1.84, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(butylamino)methyl]-1,1-dibutylguanidine is sourced from PubChem (CID 163966516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).